tert-Butyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate - CAS 92932-02-0

Catalog:	BB071091
Product Name:	tert-Butyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CAS:	92932-02-0
Synonyms:	2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid tert-butyl ester; tert-Butyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; tert-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid tert-butyl ester

Technical Data

IUPAC Name:	tert-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular Weight:	253.36
Molecular Formula:	C13H19NO2S
Canonical SMILES:	CC(C)(C)OC(=O)C1=C(SC2=C1CCCC2)N
InChI:	InChI=1S/C13H19NO2S/c1-13(2,3)16-12(15)10-8-6-4-5-7-9(8)17-11(10)14/h4-7,14H2,1-3H3
InChI Key:	LBJBSHGWJTXGDG-UHFFFAOYSA-N

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.11365002
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.11365002
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9