2-tert-Butylthiophene

HCID 15528

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Basic information

CAS: 1689-78-7
Standard SMILES: CC(C)(C)c1cccs1
InChIKey: SWCDOJGIOCVXFM-UHFFFAOYSA-N
Molecular formula: C8H12S
Average molar mass: 140.25 g/mol
Monoisotopic mass: 140.06597156

Names & identifiers

Preferred name: 2-tert-Butylthiophene
IUPAC: 2-tert-butylthiophene
English name: 2-T-BUTYLTHIOPHENE
Molecular formula: C8H12S
Molecular weight: 140.25

Names & synonyms

2-tert-Butylthiophene1689-78-7Thiophene, 2-(1,1-dimethylethyl)-Thiophene, 2-tert-butyl-UNII-R5YF9YW3CRR5YF9YW3CRAI3-15885DTXSID7073270RefChem:89422DTXCID9035412SWCDOJGIOCVXFM-UHFFFAOYSA-N2-(TERT-BUTYL)THIOPHENE

Show more names

AI315885AI3 15885AKOS BBS-000044462-T-BUTYLTHIOPHENE ISO 9001：2015 REACH

2-T-BUTYLTHIOPHENEMFCD000891972-Tert-butyl-thiopheneThiophene, (1,1-dimethylethyl)-SCHEMBL73299SCHEMBL96743orb1986748SCHEMBL1483301

Database identifiers

CAS: 1689-78-7
PubChem CID: 15528
DTXSID: DTXSID7073270
UNII: R5YF9YW3CR
Nikkaji: J110.542F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 91

Experimental & physicochemical properties

Kovats Retention Index · 2 items

952

989；989

Physicochemical properties

Melting point: -59.1 °C · -59.1°C
Boiling point: 163.95 °C · 163.95°C
Density: 0.9967 · 0.9967 (estimate)
refractive index: 1.5197 · 1.5197 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
solubility: Chloroform, Methanol (Slightly)
form: Oil
color: Colourless
LogP: 3.558 · 3.558 (est)
FDA UNII: 5 YF9YW3CR · R5YF9YW3CR
EPA Substance Registry System: 2 · 2-tert-Butylthiophene (1689-78-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227
Precautionary statements: 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H227
Precautionary statements: P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235