CAS 6038-19-3|3-aminothiolan-2-one hydrochloride|DL-2-Amino-4-mercaptobutyric acid-1,4-thiolactone|DL-HOMOCYSTEINETHIOLACTONE HCl|DL-HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE|C4H7nos hydrochloride|3-am...

General Information

Structure

Molecular Formula

C₄H₈ClNOS

Molecular Mass

153.63042

Exact Mass

153.00151256

Charge

InChI

InChI=1S/C4H7NOS.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H

InChIKey

ZSEGSUBKDDEALH-UHFFFAOYSA-N

Canonic Smiles

O=C1SCCC1N.Cl

Isomeric Smiles

Cl.NC1CCSC1=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.5003874

LogD (pH = 7.4)

-0.81341934

Log P

-0.25033888

Molar Refractivity

29.7591

Polarizability

12.082556

Polar Surface Area

43.09

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3-aminothiolan-2-one hydrochloride

Synonyms

DL-2-Amino-4-mercaptobutyric acid-1,4-thiolactoneDL-HOMOCYSTEINETHIOLACTONE HClDL-HOMOCYSTEINE THIOLACTONE HYDROCHLORIDE3-aminodihydrothiophen-2(3H)-one hydrochlorideDL-Homocysteine thiolactone hydrochlorideDL-2-氨基-4-巯基丁酸 1,4-硫内酯盐酸盐DL-2-Amino-4-mercaptobutyric acid 1,4-thiolactone hydrochloride3-氨基二氢噻吩-2-酮盐酸盐3-Aminodihydro-2-(3H)-thiophenone Hydrochloridedl Homocysteine Thiolactone Hydrochloride3-aminothiolan-2-one hydrochloride(+/-)-3-Amino-dihydro-thiophen-2-one Hydrochloride

IUPAC Traditional name

C4H7nos hydrochloride DL-homocysteine thiolactone hydrochloride

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

MDL Number