Basic information
- CAS
78441-84-6- Standard SMILES
NC(N)=Nc1nc(CSCCNC2=NS(=O)N=C2N)cs1- InChIKey
JDKAFLSRQPKFCQ-UHFFFAOYSA-N- Molecular formula
- C9H14N8OS3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.04527062
Overview
structure in first source
Names & identifiers
- Preferred name
- BL 6341A
- IUPAC
- 2-[4-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
Names & synonyms
BL 6341A78441-84-6G7PO7WW9U2Guanidine, (4-(((2-((4-amino-1,2,5-thiadiazol-3-yl)amino)ethyl)thio)methyl)-2-thiazolyl)-, S-oxideBL-6341ARefChem:120588Bl 6341BRN 5308974UNII-G7PO7WW9U22-[4-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidineorb1740777JDKAFLSRQPKFCQ-UHFFFAOYSA-N
Show more names
PDSP1_000397PDSP2_000395HY-169833T687033-amino-4-{2-[(2-guanidinothiazol-4-yl)methylthio]ethylamino}-1,2,5-thiadiazole 1-oxide
Database identifiers
- CAS
78441-84-6- PubChem CID
- 5477889
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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