Basic information
- CAS
54187-93-8- Standard SMILES
CSCCBr- InChIKey
HPEUGDZNJLIBFP-UHFFFAOYSA-N- Molecular formula
- C3H7BrS
- Average molar mass
- 155.06 g/mol
- Monoisotopic mass
- 153.94518
Names & identifiers
- Preferred name
- 1-Bromo-2-(methylsulfanyl)ethane
- IUPAC
- 1-bromo-2-methylsulfanylethane
- English name
- Ethane, 1-broMo-2-(Methylthio)-
- Molecular formula
- C3H7BrS
- Molecular weight
- 155.06
Names & synonyms
1-Bromo-2-(methylsulfanyl)ethane54187-93-8DTXSID20339187RefChem:430245DTXCID60290268816-588-4(2-Bromoethyl)(methyl)sulfane1-bromo-2-methylsulfanylethaneMFCD128235712-Bromoethyl methyl sulfide1-bromo-2-methylsulfanyl-ethaneEthane, 1-bromo-2-(methylthio)-
Show more names
1-Bromo-2-methyl-thioethaneEthane, 1-bromo-2-(methylthio)- (9CI)
2-methylmercaptoethyl bromideSCHEMBL2498768ECA187931-Bromo-2-(methylsulfanyl)ethane #AKOS010251308AB86718BS-12656SY076120
Database identifiers
- CAS
54187-93-8- PubChem CID
- 554365
- DTXSID
DTXSID20339187- EC Number
- 816-588-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 16.4
Physicochemical properties
- Boiling point
- 57 · 57-58 °C(Press: 18 Torr)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H226
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H314-H226
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses1-Bromo-2-methylsulfanylethane is used as a reactant in the preparation of pantolactams as androgen receptor antagonists.
Upstream & downstream products
Upstream raw materials
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
Related reactions
2 records
Compound notes
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