methyl 1-benzothiophene-6-carboxylate

methyl 1-benzothiophene-6-carboxylate

CAS: 1423-65-0

Formula: C10H8O2S

SMILES: COC(=O)C1=CC=C2C=CSC2=C1

IUPAC: methyl 1-benzothiophene-6-carboxylate

InChI: InChI=1S/C10H8O2S/c1-12-10(11)8-3-2-7-4-5-13-9(7)6-8/h2-6H,1H3

Composition: C (62.48%), H (4.19%), O (16.65%), S (16.68%)

Molar Mass: 192.23

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	192.024500672
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LUAQLMFNQYOVPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.42
Topological Polar Surface Area	26.3
Polarizability	20.92
Ring Count	2
Rotatable Bond Count	2

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