Basic information
- CAS
934-87-2- Standard SMILES
CC(=O)Sc1ccccc1- InChIKey
WBISVCLTLBMTDS-UHFFFAOYSA-N- Molecular formula
- C8H8OS
- Average molar mass
- 152.22 g/mol
- Monoisotopic mass
- 152.02958605
Overview
structure
Names & identifiers
- Preferred name
- Ethanethioic acid, S-phenyl ester
- IUPAC
- S-phenyl ethanethioate
- English name
- S-Phenyl thioacetate
- Molecular formula
- C8H8OS
- Molecular weight
- 152.21
Names & synonyms
S-Phenyl thioacetate934-87-2Thiophenyl acetateEthanethioic acid, S-phenyl esterACETIC ACID, THIO-, S-PHENYL ESTERL1K5I18NJ8DTXSID00239419RefChem:921209DTXCID70161910213-294-2S-Phenyl ethanethioateS-PHENYLTHIOACETATE
Show more names
PHENYL THIOACETATES-PhenylThiophenylacetatePhenylthiolacetateBenzenethiol acetateThioacetic acid S-phenyl
Thioacetic acid S-phenyl esterPhenyl thiolacetateMFCD00008752BRN 18586411-(phenylsulfanyl)ethan-1-oneAI3-155321-phenylsulfanylethanoneS-Phenyl thioacetate, 98%
Database identifiers
- CAS
934-87-2- PubChem CID
- 13630
- DTXSID
DTXSID00239419- UNII
- L1K5I18NJ8
- EC Number
- 213-294-2
- Nikkaji
- J54.981I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.23
Physicochemical properties
- Melting point
- 18 · 18-19 °C
- Boiling point
- 99 · 99-100 °C/6 mmHg (lit.)
- Density
- 1.124 g/mL · 1.124 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.57(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Colorless
- Specific Gravity
- 1.12 · 1.120~1.128 (20/4℃)
- InChI
- 1S/C8H8OS/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
- InChIKey
- WBISVCLTLBMTDS-UHFFFAOYSA-N
- SMILES
- CC(=O)Sc1ccccc1
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
- wgk
- 2
- rtecs
- AJ7559000
- ridadr
- UN 3334
- hs_code
- 29309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H303
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Applications
UsesS-Phenyl thioacetate was used as a substrate to measure the esterase activity.
Upstream & downstream products
Downstream products
Suppliers78 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司
Related reactions
1 records
Compound notes
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