CAS 1455-18-1 | Benzo[b]thiophene, 3-methyl- | CAS Number 1455-18-1

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1455-18-1 | Benzo[b]thiophene, 3-methyl-

CAS No: 1455-18-1 Catalog No: AG001D4G MDL No:MFCD00040243

Product Description

Catalog Number:

AG001D4G

Chemical Name:

Benzo[b]thiophene, 3-methyl-

CAS Number:

1455-18-1

Molecular Formula:

C9H8S

Molecular Weight:

148.2248

MDL Number:

MFCD00040243

IUPAC Name:

3-methyl-1-benzothiophene

InChI:

InChI=1S/C9H8S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3

InChI Key:

SEBRPHZZSLCDRQ-UHFFFAOYSA-N

SMILES:

Cc1csc2c1cccc2

EC Number:

215-934-6

UNII:

7A0P7EI9XF

NSC Number:

267241

Properties

Complexity:

122

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.223g/mol

Monoisotopic Mass:

148.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Differential volatile signatures from skin, naevi and melanoma: a novel approach to detect a pathological process.	PloS one 20100101
Microbial transformation of benzothiophenes, with carbazole as the auxiliary substrate, by Sphingomonas sp. strain XLDN2-5.	Microbiology (Reading, England) 20081201
Sulfur from benzothiophene and alkylbenzothiophenes supports growth of Rhodococcus sp. strain JVH1.	Biodegradation 20071001
Re(2)(CO)(10)-promoted S-binding, C-S bond cleavage, and hydrogenation of benzothiophenes: organometallic models for the hydrodesulfurization of thiophenes.	Journal of the American Chemical Society 20020227
Enhancement of a two-photon absorption cross section (TPACS)--design and synthesis of a novel class of photochromic molecules with large TPACS.	Chemical communications (Cambridge, England) 20010921