Basic information
- CAS
774-12-9- Standard SMILES
Cc1[nH]c(N)nc(=S)c1CCC#N- InChIKey
AXTLVZBBUASUQY-UHFFFAOYSA-N- Molecular formula
- C8H10N4S
- Average molar mass
- 194.26 g/mol
- Monoisotopic mass
- 194.06261751
Names & identifiers
- Preferred name
- 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
- IUPAC
- 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
Names & synonyms
NSC97917774-12-9NCIOpen2_001643DTXSID10397993NSC-979173-(2-Amino-6-methyl-4-sulfanylidene-1,4-dihydropyrimidin-5-yl)propanenitrile
Database identifiers
- CAS
774-12-9- PubChem CID
- 3924977
- DTXSID
DTXSID10397993
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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