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3,4-dimethylthiophene-2-carboxylic acid

3,4-dimethylthiophene-2-carboxylic acid

CAS: 89639-74-7

Formula: C7H8O2S

SMILES: CC1=CSC(C(O)=O)=C1C

IUPAC: 3,4-dimethylthiophene-2-carboxylic acid

InChI: InChI=1S/C7H8O2S/c1-4-3-10-6(5(4)2)7(8)9/h3H,1-2H3,(H,8,9)

Composition: C (53.83%), H (5.16%), O (20.49%), S (20.53%)

Molar Mass: 156.2

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 156.024500672
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RPZBMBIIOOKZMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.29
Topological Polar Surface Area 37.3
Polarizability 14.9
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 89639-74-7 $65.55-$922.30$65.55$185.15$922.30
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97% <7 Days 89639-74-7 $44.51-$734.85$44.51$64.17$181.13$734.85
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98% <5 Days 89639-74-7 $123.58-$1,245.87$123.58$307.68$1,245.87
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