chempirical

C.I. Sulphur black 1

C18H8N4O5S2CAS 1326-82-5424.41 g/mol

Open in Covalent MOL file
N+OO−NHSNOSN+OO−
NitroSecondary amineSulfide

Properties

Molecular formula
C18H8N4O5S2
Molar mass
424.41 g/mol
Exact mass
423.9936 Da
logP
4.79Crippen estimate
Polar surface area
128.3 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1326-82-5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC3=C(S2)C=C4C(=C3)N=C5C=C(C(=O)C=C5S4)[N+](=O)[O-]
InChIKey
PGYZAKRTYUHXRA-UHFFFAOYSA-N
InChI
InChI=1S/C18H8N4O5S2/c23-14-6-16-12(5-13(14)22(26)27)20-11-4-10-17(7-18(11)29-16)28-15-2-1-8(21(24)25)3-9(15)19-10/h1-7,19H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

131 names · show all
  • Original cubatao sulphur black
  • Pirocard black B
  • Pirocard black T
  • Pirocard black IT
  • Pirocard black PL
  • Pirocard black PSE
  • Pirocard black PSR
  • Pirocard black TR
  • Pyrogene deep black B
  • Pyrogene deep black D
  • Sodyesul black R
  • Sodyesul black 2B
  • Sodyesul black PACF
  • Sofral black FP
  • Suldura black PG
  • Sulfanol black B
  • Sulfanol black MBS
  • Sulfanol black MRS
  • Sulfer black G
  • Sulfer black BB
  • Sulfer black GB
  • Sulfer black KBR
  • Sulfogen black BWLE
  • Sulfogene carbon HCF grains
  • Sulfur black 2B
  • Sulfur black BGL
  • Sulfur black BGND
  • Sulpho black
  • Sulphol black B 150
  • Sulphol black BS
  • Sulphol black G conc
  • Sulphol black GSP paste
  • Sulphol black XG
  • Sulphur black
  • Sulphur black B
  • Sulphur black G
  • Sulphur black M
  • Sulphur black P
  • Sulphur black T
  • Sulphur black 911
  • Sulphur black BRW
  • Sulphur black 911 extra
  • Sulphur black HD grains
  • Sulphur black HD grains 115
  • Sulphur black HD grains 125
  • Sulphur black LA
  • Sulphur black PA
  • Sulphur black pan
  • Sulphur black TC
  • Sulphur black WLX
  • Sulphur fast black BG
  • Thiocyanine black FR grains
  • Thional black 5G-CF
  • Thional black 7CF
  • Thional deep black B
  • Thional deep black D
  • Thionol black B
  • Thionol black JN
  • Thionone black 36254
  • Thionone black BN extra conc
  • Thionone black FA extra conc
  • Thionone black paste special
  • Sulfur black BRW
  • C.I. Sulfur black 1
  • Sulfur black 1
  • Sulfur black B
  • Sulfur black
  • Sulphur black BT
  • Phenol, 2,4-dinitro-, sulfurized
  • Sulfur black T
  • Sulphur black 1
  • Diresul liquid black 4G-EV
  • Sulfur black BR
  • Diresul black 4G-EV
  • Sulfur black BN
  • Diresul black EV 4G
  • Shangdasulfur black BN
  • Diresul liquid black PDK
  • Diresul black PDK
  • Sulphur black BRN
  • C.I. 53185
  • Asphalen sulphur black S
  • Asphalen sulphur black C
  • Atul sulphur black GXE
  • Atul sulphur black GXR
  • Atul sulphur black RP
  • Calcogene black GX-CF
  • Diresul black P
  • Eclipse black BG
  • Eclipse deep black S
  • Fenoxyl black RD
  • Immedial black AT
  • Immedial black GN
  • Immedial black MF
  • Immedial carbon B
  • Immedial carbon BO
  • Immedial carbon BR
  • Immedial carbon CBO
  • Immedial carbon CM
  • Immedial carbon CMR
  • Immedial carbon LP
  • Immedial carbon MLB
  • Immedial carbon NGD
  • Immedial carbon RRC
  • Immedial MFS grains
  • Immedial Printing Black B paste
  • Katigen deep black NND-CF
  • Katigen deep black RND-CF
  • Kayaku sulphur black G
  • Kayaku sulphur black 3BX
  • Kayaku sulphur black BBR 200
  • Kayaku sulphur black BBX
  • Kayaku sulphur black BDX
  • Kayaku sulphur black BNX
  • Kayaku sulphur black BX
  • Kayaku sulphur black BX 200 flakes
  • Kayaku sulphur black TB
  • Kayaku sulphur black BX 200
  • Mitsui sulphur black B
  • Mitsui sulphur black G
  • Mitsui sulphur black BC
  • Mitsui sulphur black BF
  • Mitsui sulphur black BO
  • Mitsui sulphur black BS
  • Mitsui sulphur black GF
  • Mundial black MO
  • Nissen black BGL
  • Nissen black BK
  • Nissen black BX
  • Nissen black KBX
  • Nissen black LBX

Work with C.I. Sulphur black 1

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[(2,4-Dinitrophenyl)thio]-benzothiazole17586-89-942 % similar 2-Chloro-6-nitrobenzothiazole2407-11-638 % similar 6-Nitro-2(3H)-benzothiazolethione4845-58-338 % similar 5-Nitro-1,3-benzothiazol-2-amine73458-39-636 % similar 2,4-Dinitrobenzenesulfenyl chloride528-76-734 % similar 6-Nitrobenzothiazole2942-06-533 % similar 2,4-Dinitrophenyl thiocyanate1594-56-532 % similar 6-Nitro-2-benzothiazolinone28620-12-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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