2,3-Dihydrobenzo(b)thiophene

HCID 78319CAS 4565-32-6
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc2c(c1)CCS2
InChIKey
YJUFGFXVASPYFQ-UHFFFAOYSA-N
Molecular formula
C8H8S
Average molar mass
136.22 g/mol
Monoisotopic mass
136.03467143

Names & identifiers

Preferred name
2,3-Dihydrobenzo(b)thiophene
IUPAC
2,3-dihydro-1-benzothiophene
English name
2,3-Dihydrobenzo[b]thiophene
Molecular formula
C8H8S
Molecular weight
136.21

Names & synonyms

2,3-Dihydrobenzo[b]thiophene4565-32-62,3-Dihydrobenzo(b)thiopheneRefChem:10593852,3-DihydrobenzothiopheneBenzothiophane2,3-Dihydro-1-benzothiopheneDihydrobenzothiophene2,3-dihydro-benzo[b]thiopheneBenzo[b]thiophene, 2,3-dihydro-Benzo(b)thiophene, 2,3-dihydro-1-Thiaindan
Show more names
137597-56-91,3-DihydrobenzothiopheneSCHEMBL2928SCHEMBL89972,3-dihydrobenzo(b)thiophenSCHEMBL240717SCHEMBL328767SCHEMBL366355

Database identifiers

CAS
4565-32-6
PubChem CID
78319
DTXSID
DTXSID30963412
Nikkaji
J101.209F

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
86.5 · 86.5-87 °C
Boiling point
233.3 · 233.3-234.5 °C(Press: 765 Torr)
Density
1.1125 g/cm3 · 1.1125 g/cm3

Chemistry & industry

Suppliers8 total

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海舒盟医药科技有限公司021-54540637 18621091017 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]

Related reactions

13 records
New reaction record

Linked notes

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