methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

CAS: 119205-38-8

Formula: C10H13NO2S

SMILES: COC(=O)C1=C(N)C2=C(CCCC2)S1

IUPAC: methyl 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C10H13NO2S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H2,1H3

Composition: C (56.85%), H (6.20%), N (6.63%), O (15.14%), S (15.17%)

Molar Mass: 211.28

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.066699837
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WBBFZXDFNCRFGM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.09
Topological Polar Surface Area	52.32
Polarizability	21.06
Ring Count	2
Rotatable Bond Count	2

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