Home Other Building Blocks 5-(PROPAN-2-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

5-(PROPAN-2-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

CAS No.:
1343988-74-8
Catalog Number:
AG01DSVS
Molecular Formula:
C12H16O2S
Molecular Weight:
224.3192
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Product Description
Catalog Number:
AG01DSVS
Chemical Name:
5-(PROPAN-2-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
CAS Number:
1343988-74-8
Molecular Formula:
C12H16O2S
Molecular Weight:
224.3192
MDL Number:
MFCD16853264
IUPAC Name:
5-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C12H16O2S/c1-7(2)8-3-4-10-9(5-8)6-11(15-10)12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
InChI Key:
RCBOIOWAGAIRCZ-UHFFFAOYSA-N
SMILES:
CC(C1CCc2c(C1)cc(s2)C(=O)O)C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.318g/mol
Monoisotopic Mass:
224.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties