Basic information
- CAS
69195-78-4- Standard SMILES
NC(=[NH2+])SC1Cc2ccccc2Sc2ccc(Cl)cc21.[Cl-]- InChIKey
CXZMSYAHZUOULM-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2N2S2
- Average molar mass
- 357.3 g/mol
- Monoisotopic mass
- 355.9975462
Names & identifiers
- Preferred name
- Carbamimidothioic acid, 8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl ester, hydrochloride,hydrate (1:1:1)
- IUPAC
- [amino-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]methylidene]azanium chloride
Names & synonyms
VUFB-1010969195-78-4S-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)isothiuronium chloride monohydrateCarbamimidothioic acid, 8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl ester, hydrochloride,hydrate (1:1:1)RefChem:332778
Database identifiers
- CAS
69195-78-4- PubChem CID
- 50323
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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