Basic information
- CAS
4527-44-0- Standard SMILES
CCCc1ccc(S)cc1- InChIKey
TVLGECZCQTWNOL-UHFFFAOYSA-N- Molecular formula
- C9H12S
- Average molar mass
- 152.26 g/mol
- Monoisotopic mass
- 152.06597138
Names & identifiers
- Preferred name
- 4-n-Propylthiophenol
- IUPAC
- 4-propylbenzenethiol
- English name
- 4-N-PROPYLTHIOPHENOL
- Molecular formula
- C9H12S
- Molecular weight
- 152.26
Names & synonyms
4-n-Propylthiophenol4-propylbenzenethiol4527-44-04-propylbenzene-1-thiolp-propylthiophenol4-propylthiophenolMFCD00041021Benzenethiol, 4-propyl-SCHEMBL186074SCHEMBL1532978DTXSID50963358TVLGECZCQTWNOL-UHFFFAOYSA-N
Show more names
EN300-673779G64103F023122
Database identifiers
- CAS
4527-44-0- PubChem CID
- 2760489
- DTXSID
DTXSID50963358
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 82.7
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
南京芊亿达新材料科技有限公司15384069853
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
5 records
Compound notes
Loading…