Text Search
Structure Search

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

CAS: 588698-05-9

Formula: C10H12O2S

SMILES: CC1CCC2=C(C1)C=C(S2)C(O)=O

IUPAC: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1/C10H12O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h5-6H,2-4H2,1H3,(H,11,12)

Composition: C (61.20%), H (6.16%), O (16.30%), S (16.34%)

Molar Mass: 196.26

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 196.0558008
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AKQCTDMGIZKFRX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.17
Topological Polar Surface Area 37.3
Polarizability 19.68
Ring Count 2
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
ChemBridge Corp.
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 588698-05-9 $234.60-$936.10$234.60$936.10
Request Quote
MATRIX SCIENTIFIC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 588698-05-9 $320.85-$494.11$320.85$494.11
Request Quote