900137-02-2
6-METHYL-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID
Name6-METHYL-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID
1Identification
【Name】
6-METHYL-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08166696
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C10 H12 O2 S
【pro_molWeight】
196.269
【Inchi】
InChI=1S/C10H12O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h5-6H,2-4H2,1H3,(H,11,12)
【InChIKey】
InChIKey=ZQTJFMHZZAFJPN-UHFFFAOYSA-N
【SMILES】
CC1CCc2cc(sc2C1)C(=O)O
【MOL File】
6-METHYL-4,5,6,7-TET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
6-METHYL-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID.cml