Basic information
- CAS
148797-87-9- Standard SMILES
C=Cc1ccc(CSC#N)cc1- InChIKey
PDFURVYAONQPPX-UHFFFAOYSA-N- Molecular formula
- C10H9NS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.04557046
Names & identifiers
- Preferred name
- (4-Ethenylphenyl)methyl thiocyanate
- IUPAC
- (4-ethenylphenyl)methyl thiocyanate
- English name
- 4-Vinylbenzyl thiocyanate
- Molecular formula
- C10H9NS
- Molecular weight
- 175.25
Names & synonyms
(4-Ethenylphenyl)methyl thiocyanate148797-87-9DTXSID10570168RefChem:208746DTXCID505209404-Vinylbenzyl thiocyanate4-vinylbenzyl-thiocyanate4-thiocyanatomethylstyreneSCHEMBL5886581PDFURVYAONQPPX-UHFFFAOYSA-NDB-082520Thiocyanic acid, (4-ethenylphenyl)methyl ester
Database identifiers
- CAS
148797-87-9- PubChem CID
- 15217596
- DTXSID
DTXSID10570168- Nikkaji
- J640.862A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Chemistry & industry
Suppliers3 total
Shandong Xingshun New Material Co., Ltd.+86-0519-86464994 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
山东星顺新材料股份有限公司0519-86464994 13382824994 · [email protected]
Related reactions
4 records
Compound notes
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