Basic information
- CAS
107-47-1- Standard SMILES
CC(C)(C)SC(C)(C)C- InChIKey
LNMBCRKRCIMQLW-UHFFFAOYSA-N- Molecular formula
- C8H18S
- Average molar mass
- 146.3 g/mol
- Monoisotopic mass
- 146.11292175
Names & identifiers
- Preferred name
- Propane, 2,2'-thiobis(2-methyl-
- IUPAC
- 2-tert-butylsulfanyl-2-methylpropane
- English name
- tert-Butyl sulfide
- Molecular formula
- C8H18S
- Molecular weight
- 146.29
Names & synonyms
tert-Butyl sulfide107-47-1Di-tert-butyl sulfideDi-tert-butyl sulphidePropane, 2,2'-thiobis[2-methyl-2,2,4,4-Tetramethyl-3-thiapentanePropane, 2,2'-thiobis(2-methyl-2,2'-thiobis(2-methylpropane)NSC 4549EINECS 203-493-2DTXSID5021887tertButyl sulfide
Show more names
(tert-C4H9)2St-Butyl sulfideDI-T-BUTYL SULFIDETERT-BUTYLSULPHIDEtert-ButylSulfide>DI-TERT-BUTYL SULPHIDEtert-Butyl sulfide,98%TERT.-BUTYL SULFIDE 98%
Ditertbutyl sulphideRefChem:868834tertButyl sulfide (8CI)tert-Butyl sulfide (8CI)DTXCID901887Propane, 2,2'thiobis(2methyl2,2,4,4Tetramethyl3thiapentane203-493-2
Database identifiers
- CAS
107-47-1- PubChem CID
- 7872
- DTXSID
DTXSID5021887- UNII
- U27L6HX2MW
- EC Number
- 203-493-2
- Nikkaji
- J114.114G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.7
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionClear light yellow liquid with a stench; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -9 °C · -9°C
- Boiling point
- 148 · 148-149°C
- Density
- 0 · 0,815 g/cm3
- refractive index
- 1.449 · 1.4490-1.4530
- Flash point
- 26 °C · 26°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.815 · 0.815
- InChI
- InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
- InChIKey
- LNMBCRKRCIMQLW-UHFFFAOYSA-N
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
Warning
H226 (92.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 544 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDi-tert-butyl sulfide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (92.8%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2930.90.9250
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropane, 2,2'-thiobis[2-methyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
7 records
Compound notes
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