2-Methylbenzo(b)thiophene

HCID 70952CAS 1195-14-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc2ccccc2s1
InChIKey
BLZKSRBAQDZAIX-UHFFFAOYSA-N
Molecular formula
C9H8S
Average molar mass
148.23 g/mol
Monoisotopic mass
148.03467126

Names & identifiers

Preferred name
2-Methylbenzo(b)thiophene
IUPAC
2-methyl-1-benzothiophene
English name
2-Methylbenzo[b]thiophene
Molecular formula
C9H8S
Molecular weight
148.22

Names & synonyms

2-Methylbenzo[b]thiophene1195-14-82-Methylthianaphthene2-Methyl-1-benzothiophene2-Methylbenzothiophene2-Methylbenzo(b)thiopheneBenzothiophene, 2-methylEINECS 214-792-2NSC 18869DTXSID80152470RefChem:88260DTXCID1074961
Show more names
AKOS 929052-Methylthianaphthene 97%
Benzo(b)thiophene, 2-methyl-(8CI)Benzo(b)thiophene, 2-methyl-(8CI)(9CI)214-792-2BLZKSRBAQDZAIX-UHFFFAOYSA-NInChI=1/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1HBenzo[b]thiophene, 2-methyl-2-Methyl-1-thiaindene2-Methylthioindene

Database identifiers

CAS
1195-14-8
PubChem CID
70952
DTXSID
DTXSID80152470
UNII
6MH2BG9KVQ
EC Number
214-792-2
Nikkaji
J203.464F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

LogP3.71

Physicochemical properties

Melting point
47 · 47-52 °C (lit.)
Boiling point
228.84 °C · 228.84°C (rough estimate)
Density
1.0794 · 1.0794 (rough estimate)
refractive index
1.699 · 1.6990 (estimate)
Flash point
113 °C · 113 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29349990
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses2-Methylthianaphthene is a 2-substituted thianaphthene derivative. It can be synthesized by reacting 2-thianaphthenyllithium with methyl p-toluenesulfonate.

General Description2-Methylthianaphthene is a 2-substituted thianaphthene derivative. It can be synthesized by reacting 2-thianaphthenyllithium with methyl p-toluenesulfonate.

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安徽合诺生物科技有限公司0555-2761852

Related reactions

29 records
New reaction record

Linked notes

Loading…