CAS 28783-41-7|4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride|4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride|4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride|4,5,6,7-Tetrahydrothieno[3,2-c]pyridine...

General Information

Structure

Molecular Formula

C₇H₁₀ClNS

Molecular Mass

175.679

Exact Mass

175.02224801

Charge

InChI

InChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4,8H,1,3,5H2;1H

InChIKey

QMXCTKPNQFJZGK-UHFFFAOYSA-N

Canonic Smiles

C1NCc2c(C1)scc2.Cl

Isomeric Smiles

c12c(scc1)CCNC2.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5605778

LogD (pH = 7.4)

-0.0999507

Log P

1.4843645

Molar Refractivity

39.6159

Polarizability

15.212792

Polar Surface Area

12.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride

IUPAC name

4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride

Synonyms

4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride4,5,6,7-Tetrahydrothieno[3,2-c]pyridine Hydrochloride6,7-Dihydro-4H-thieno[3,2-c]pyridine Hydrochloride4,5,6,7-四氢二噻吩基[3,2-c]盐酸吡啶4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

28783-41-7

MDL Number

MFCD05861485MFCD03839944

EC Number

249-220-0

PubChem CID

10176342

PubChem SID

160987905