Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate
Basic information
- CAS
40283-97-4- Standard SMILES
NC(CSS(=O)(=O)O)=NCCSc1ccccc1- InChIKey
VOLFUPQSGZPFLV-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3S3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.01665583
Names & identifiers
- Preferred name
- Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfate
- IUPAC
- 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylbenzene
Names & synonyms
NSC 18754340283-97-4Methanethiol, N-(2-phenylthioethyl)amidino-, hydrogen thiosulfateS-((N-(2-Phenylthioethyl)amidino)methyl) hydrogen thiosulfateDTXSID70193291Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(phenylthio)ethyl)amino)ethyl) esterThiosulfuric acid (H2S2O3), S-[2-imino-2-[[2-(phenylthio)ethyl]amino]ethyl] esterRefChem:352449DTXCID80115782Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(phenylthio)ethyl)amino)ethyl) ester (9CI)NSC187543s-[(2z)-2-amino-2-{[2-(phenylsulfanyl)ethyl]imino}ethyl] hydrogen sulfurothioate
Show more names
NSC-187543
Database identifiers
- CAS
40283-97-4- PubChem CID
- 99145
- DTXSID
DTXSID70193291- Nikkaji
- J41.730K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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