Sec-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate - CAS 438220-75-8

Name: Sec-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB044727
Product Name:	Sec-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS:	438220-75-8
Synonyms:	sec-Butyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; 2-amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid sec-butyl ester

Technical Data

IUPAC Name:	butan-2-yl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Description:	Sec-butyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS# 438220-75-8 ) is a useful research chemical.
Molecular Weight:	253.36
Molecular Formula:	C13H19NO2S
Canonical SMILES:	CCC(C)OC(=O)C1=C(SC2=C1CCCC2)N
InChI:	InChI=1S/C13H19NO2S/c1-3-8(2)16-13(15)11-9-6-4-5-7-10(9)17-12(11)14/h8H,3-7,14H2,1-2H3
InChI Key:	AATLUXISVORLDM-UHFFFAOYSA-N
Boiling Point:	420.6±45.0 °C at 760 mmHg
Density:	1.2±0.1 g/cm³

Complexity:	285
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:	4
Topological Polar Surface Area:	80.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2