1,4-Dihydroxynaphthalen-2-yl carbamimidothioate
Basic information
- CAS
5391-75-3- Standard SMILES
N=C(N)Sc1cc(O)c2ccccc2c1O- InChIKey
RUZSZXBZUQMTFW-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 1,4-Dihydroxynaphthalen-2-yl carbamimidothioate
- IUPAC
- (1,4-dihydroxynaphthalen-2-yl) carbamimidothioate
- English name
- (1,4-dihydroxynaphthalen-2-yl)sulfanylmethanimidamide
- Molecular formula
- C11H10N2O2S
- Molecular weight
- 234.27
Names & synonyms
5391-75-31,4-dihydroxynaphthalen-2-yl carbamimidothioateNSC3197DTXSID70277621NSC-3197(1,4-dihydroxynaphthalen-2-yl)sulfanylmethanimidamideCarbamimidothioic acid, 1,4-dihydroxy-2-naphthalenyl ester
Database identifiers
- CAS
5391-75-3- PubChem CID
- 220435
- DTXSID
DTXSID70277621
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
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Compound notes
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