Basic information
- CAS
120399-38-4- Standard SMILES
N#CN=C(N)CCSCc1cnc(N=C(N)N)s1- InChIKey
GFLJLVBQFROMLB-UHFFFAOYSA-N- Molecular formula
- C9H13N7S2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.06738579
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Cyano-3-((2-guanidino-5-thiazolyl)methylthio)propionamidine
- IUPAC
- N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-5-yl]methylsulfanyl]propanimidamide
- English name
- N-cyano-3-((2-guanidino-5-thiazolyl)methylthio)propionamidine
- Molecular formula
- C9H13N7S2
- Molecular weight
- 283.38
Names & synonyms
Cgtmpa120399-38-4N-Cyano-3-((2-guanidino-5-thiazolyl)methylthio)propionamidineDTXSID70152843RefChem:163124DTXCID8075334N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-5-yl]methylsulfanyl]propanimidamidePropanimidamide, 3-(((2-((aminoiminomethyl)amino)-5-thiazolyl)methyl)thio)-N-cyano-(1Z)-N'-cyano-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-5-yl}methyl)sulfanyl]propanimidamidePropanimidamide, 3-[[[2-[(aminoiminomethyl)amino]-5-thiazolyl]methyl]thio]-N-cyano-
Database identifiers
- CAS
120399-38-4- PubChem CID
- 129147
- DTXSID
DTXSID70152843- Nikkaji
- J503.935E
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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