chempirical

2-Thiocytosine

C4H5N3SCAS 333-49-3127.16 g/mol

Open in Covalent MOL file
HNNSHHN
Thiol

Properties

Molecular formula
C4H5N3S
Molar mass
127.16 g/mol
Exact mass
127.0204 Da
Melting point
285–290 °C
logP
0.18Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
333-49-3
SMILES
N=c1ccnc(S)[nH]1
InChIKey
DCPSTSVLRXOYGS-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

Weigh it out

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

Names and synonyms

9 names
  • 2(1H)-Pyrimidinethione, 6-amino-
  • 2(1H)-Pyrimidinethione, 4-amino-
  • 6-Amino-2(1H)-pyrimidinethione
  • Thiocytosine
  • 2(1H)-Pyrimidinone, 4-aminothio-
  • 4-Amino-2-mercaptopyrimidine
  • 4-Amino-2-pyrimidinethiol
  • NSC 211571
  • NSC 45755

Work with 2-Thiocytosine

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

Cytosine71-30-752 % similar 2-O-Methylcytosine3289-47-247 % similar 4,6-Diamino-2-mercaptopyrimidine1004-39-344 % similar 2-Imidazolidinethione872-35-539 % similar 2,4-Diaminopyrimidine156-81-037 % similar 4-Aminopyrimidine591-54-837 % similar 2-Amino-1,3,5-triazine-4,6-dithiol2770-75-434 % similar 3-Pyridazinamine5469-70-532 % similar

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

Same formula

N-(4,5-Dihydro-2-thiazolyl)cyanamide26364-65-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook