Text Search
Structure Search

3-chloro-4-methyl-1-benzothiophene-2-carboxylic acid

3-chloro-4-methyl-1-benzothiophene-2-carboxylic acid

CAS: 923772-93-4

Formula: C10H7ClO2S

SMILES: CC1=C2C(Cl)=C(SC2=CC=C1)C(O)=O

IUPAC: 3-chloro-4-methyl-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C10H7ClO2S/c1-5-3-2-4-6-7(5)8(11)9(14-6)10(12)13/h2-4H,1H3,(H,12,13)

Composition: C (52.99%), H (3.11%), Cl (15.64%), O (14.12%), S (14.14%)

Molar Mass: 226.67

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 225.9855283
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GAPFLTQPRZZYET-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.28
Topological Polar Surface Area 37.3
Polarizability 22.53
Ring Count 2
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Struchem co.,ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 923772-93-4 $2,200.00-$4,136.00$2,200.00$4,136.00
Request Quote
MATRIX SCIENTIFIC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 923772-93-4 $224.60$224.60
Request Quote