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CAS Number: 118292-06-1
6-ethynyl-4,4-dimethylthiochroman

Structure

6-ethynyl-4,4-dimethylthiochroman
Name: 6-ethynyl-4,4-dimethylthiochroman
Synonyms:
General Information
Product Number: 118292061

CAS Registry Number 118292-06-1
Name:
2H-​1-​Benzothiopyran, 6-​ethynyl-​3,​4-​dihydro-​4,​4-​dimethyl-
4,4-Dimethyl-6-ethynylthiochroman
6-Ethynyl-4,4-dimethyl-1,2,3,4-tetrahydro[1]benzthiothiopyran

 

Chemical Formula: C13H14S
Exact Mass: 202.08
Molecular Weight: 202.32
m/z: 202.08 (100.0%), 203.08 (14.9%), 204.08 (4.6%)

 

InChI:InChI=1S/C13H14S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h1,5-6,9H,7-8H2,2-3H3

InChI Key:KVHNVHGCQWNGLG-UHFFFAOYSA-N

Canonical SMILES:CC1(CCSC2=C1C=C(C=C2)C#C)C

 

Thermal Properties Value Condition Note
Boiling Point 100 °C Press: 0.7 Torr (1)IC

Specification

98%

References
  1. (1) Chandraratna, Roshantha A. S.; EP 290130 A1 1988 CAPLUS
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