Methanethiol, N-((5-methyl-2-thienyl)methyl)amidino-, hydrogen thiosulfate
Basic information
- CAS
40284-02-4- Standard SMILES
Cc1ccc(CN=C(N)CSS(=O)(=O)O)s1- InChIKey
YFUWSMRQAKOQQG-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3S3
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.00100577
Names & identifiers
- Preferred name
- Methanethiol, N-((5-methyl-2-thienyl)methyl)amidino-, hydrogen thiosulfate
- IUPAC
- 2-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-5-methylthiophene
Names & synonyms
S-((N-((5-Methyl-2-thienyl)methyl)amidino)methyl) hydrogen thiosulfate40284-02-4Methanethiol, N-((5-methyl-2-thienyl)methyl)amidino-, hydrogen thiosulfateRefChem:352442DTXSID10960707S-(2-Imino-2-{[(5-methylthiophen-2-yl)methyl]amino}ethyl) hydrogen sulfurothioate
Database identifiers
- CAS
40284-02-4- PubChem CID
- 218173
- DTXSID
DTXSID10960707- Nikkaji
- J41.727K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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