5-ethynylthiophene-2-carboxylic acid

5-ethynylthiophene-2-carboxylic acid

CAS: 174672-58-3

Formula: C7H4O2S

SMILES: OC(=O)C1=CC=C(S1)C#C

IUPAC: 5-ethynylthiophene-2-carboxylic acid

InChI: InChI=1S/C7H4O2S/c1-2-5-3-4-6(10-5)7(8)9/h1,3-4H,(H,8,9)

Composition: C (55.25%), H (2.65%), O (21.03%), S (21.07%)

Molar Mass: 152.17

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.993200543
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CBDSPXPVZWMEOH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.16
Topological Polar Surface Area	37.3
Polarizability	13.98
Ring Count	1
Rotatable Bond Count	1

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Acrotein ChemBio Inc.,

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