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1864051-64-8 | 4-METHYL-2-[(PYRROLIDIN-2-YLMETHYL)SULFANYL]-1,3-THIAZOLE HYDROCHLORIDE
CAS No: 1864051-64-8 Catalog No: AG01AT2F MDL No:MFCD26793154
Product Description
Catalog Number:
AG01AT2F
Chemical Name:
4-METHYL-2-[(PYRROLIDIN-2-YLMETHYL)SULFANYL]-1,3-THIAZOLE HYDROCHLORIDE
CAS Number:
1864051-64-8
Molecular Formula:
C9H15ClN2S2
Molecular Weight:
250.8118
MDL Number:
MFCD26793154
IUPAC Name:
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
InChI:
InChI=1S/C9H14N2S2.ClH/c1-7-5-12-9(11-7)13-6-8-3-2-4-10-8;/h5,8,10H,2-4,6H2,1H3;1H
InChI Key:
LAPGHBLGMBYRLK-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)SCC1CCCN1.Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.803g/mol
Monoisotopic Mass:
250.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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