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CAS Number: 16587-47-6
6-methylbenzo[b]thiophene

Structure

6-methylbenzo[b]thiophene
Name: 6-methylbenzo[b]thiophene
Synonyms:
General Information
Product Number: 16587476

CAS Registry Number 16587-47-6
Name:
Benzo[b]?thiophene, 6-?methyl-
6-Methylbenzo[b]thiophene
6-Methylbenzothiophene
6-Methylthianaphthene

 

Chemical Formula: C9H8S
Exact Mass: 148.03
Molecular Weight: 148.22
m/z: 148.03 (100.0%), 149.04 (9.8%), 150.03 (4.5%)

 

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

InChI Key:WOGMIMNVXACKEB-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(C=C1)C=CS2

 

Thermal Properties Value Condition Note
Boiling Point 122 °C Press: 15 Torr (1)IC
Boiling Point 110-115 °C Press: 13 Torr (2)CAS
Boiling Point 110-115 °C Press: 4 Torr (3)CAS
Melting Point 42.0-42.5 °C   (2)CAS
Melting Point 41-43 °C   (1)IC
Melting Point 37-38 °C   (7)CAS

Specification

98%

References
  1. (1) Russavskaya, N. V.; SU 1583420 A1 1990 CAPLUS
  2. (2) Tarbell, D. S.; Journal of the American Chemical Society 1946, V68, P1456-60 CAPLUS
  3. (3) Sunthankar, A. V.; Proceedings - Indian Academy of Sciences, Section A 1950, V32A, P396-401 CAPLUS
  4. (7) Hansch, Corwin; Journal of Organic Chemistry 1956, V21, P265-70 CAPLUS
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