Basic information
- CAS
7269-35-4- Standard SMILES
CCCCSC(=O)c1ccccc1- InChIKey
KXXZPIFZTPWOJJ-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07653624
Names & identifiers
- Preferred name
- S-Butyl Thiobenzoate
- IUPAC
- S-butyl benzenecarbothioate
- English name
- S-Butyl thiobenzoate
- Molecular formula
- C11H14OS
- Molecular weight
- 194.29
Names & synonyms
S-Butyl Thiobenzoate7269-35-4S-butyl benzenecarbothioateS-BUTYLTHIOBENZOATEThiobenzoic acid S-n-butyl esterThiobenzoic Acid S-Butyl EsterMFCD00039955Butyl thiolbenzoaten-Butylthio benzoateS-butyl benzothioateBenzenecarbothioic acid, S-butyl esterBUTYL THIOBENZOATE
Show more names
Thiobenzoicacidbutylester
n-BUTYL THIOBENZOATESCHEMBL6057163DTXSID90494974KXXZPIFZTPWOJJ-UHFFFAOYSA-NThiobenzoic acid, S-n-butyl esterHAA26935Benzoic acid, thio-, S-butyl esterSY053911
Database identifiers
- CAS
7269-35-4- PubChem CID
- 12373904
- DTXSID
DTXSID90494974- Nikkaji
- J208.078H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 119 °C · 119 °C
- Boiling point
- 160 °C · 160 °C / 23mmHg
- Density
- 1 · 1,05 g/cm3
- refractive index
- 1.552 · 1.5520-1.5550
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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