2-(pyrrolidin-2-yl)-1,3-benzothiazole hydrochloride

2-(pyrrolidin-2-yl)-1,3-benzothiazole hydrochloride

CAS: 1027643-30-6

Formula: C11H13ClN2S

SMILES: Cl.C1CNC(C1)C1=NC2=CC=CC=C2S1

IUPAC: 2-(pyrrolidin-2-yl)-1,3-benzothiazole hydrochloride

InChI: InChI=1/C11H12N2S.ClH/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9;/h1-2,4,6,9,12H,3,5,7H2;1H

Composition: C (54.88%), H (5.44%), Cl (14.72%), N (11.64%), S (13.32%)

Molar Mass: 240.75

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	240.0487973
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QGZFWPSLMFCWIL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.99
Topological Polar Surface Area	24.92
Polarizability	23.81
Ring Count	3
Rotatable Bond Count	1

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Life Chemicals USA, Inc.

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OTAVA LTD.

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MFCD04966888

AA BLOCKS INC

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Crea-Chim UAB

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