chempirical

Bdth2

C12H16N2O2S2CAS 351994-94-0284.39 g/mol

Open in Covalent MOL file
ONHHSOHNSH
Thiol

Properties

Molecular formula
C12H16N2O2S2
Molar mass
284.39 g/mol
Exact mass
284.0653 Da
logP
2.16Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6

Identifiers

CAS number
351994-94-0
SMILES
OC(=NCCS)c1cccc(C(O)=NCCS)c1
InChIKey
JUTBAVRYDAKVGQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Benzenedicarboxamide, N1,N3-bis(2-mercaptoethyl)-
  • 1,3-Benzenedicarboxamide, N,N′-bis(2-mercaptoethyl)-
  • N1,N3-Bis(2-mercaptoethyl)-1,3-benzenedicarboxamide
  • N,N′-Bis(2-mercaptoethyl)isophthalamide
  • Emeramide
  • 1-N,3-N-Bis(2-sulfanylethyl)benzene-1,3-dicarboxamide

Work with Bdth2

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

Isophthalic dihydrazide2760-98-753 % similar N-(2-Chloroethyl)benzamide26385-07-947 % similar Betamipron3440-28-644 % similar N-(Hydroxymethyl)benzamide6282-02-643 % similar M-Aminobenzhydrazide14062-34-142 % similar 3-Chlorobenzohydrazide1673-47-842 % similar 3-Bromobenzoic acid hydrazide39115-96-342 % similar m-Fluorobenzoic acid hydrazide499-55-842 % similar

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

Elsewhere

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