Basic information
- CAS
3774-54-7- Standard SMILES
Cc1cc(O)ccc1SC#N- InChIKey
AKBUQNBHFALNTI-UHFFFAOYSA-N- Molecular formula
- C8H7NOS
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.02483502
Names & identifiers
- Preferred name
- m-Cresol thiocyanate
- IUPAC
- (4-hydroxy-2-methylphenyl) thiocyanate
- English name
- m-cresol thiocyanate
- Molecular formula
- C8H7NOS
- Molecular weight
- 165.21228
Names & synonyms
m-Cresol thiocyanate3774-54-7Thiocyanic acid, 4-hydroxy-2-methylphenyl esterEINECS 223-224-2AI3-19636DTXSID70191176NSC 4679NSC 31039RefChem:154867DTXCID80113667223-224-23-methyl-4-thiocyanatophenol
Show more names
Thiocyanic acid 4-hydroxy-2-methylphenyl ester
(4-hydroxy-2-methylphenyl) thiocyanateNSC4679Thiocyanic acid,4-hydroxy-2-methylphenyl ester3-methyl4-thiocyanato-phenol3-methyl-4-thiocyanato-phenolorb1985679SCHEMBL5635870NSC-4679
Database identifiers
- CAS
3774-54-7- PubChem CID
- 77403
- DTXSID
DTXSID70191176- EC Number
- 223-224-2
- Nikkaji
- J217.673D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Chemistry & industry
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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