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120740-08-1 | (2-Chlorothiazol-5-yl)methanamine
CAS No: 120740-08-1 Catalog No: AG003653 MDL No:MFCD08705904
Product Description
Catalog Number:
AG003653
Chemical Name:
(2-Chlorothiazol-5-yl)methanamine
CAS Number:
120740-08-1
Molecular Formula:
C4H5ClN2S
Molecular Weight:
148.6139
MDL Number:
MFCD08705904
IUPAC Name:
(2-chloro-1,3-thiazol-5-yl)methanamine
InChI:
InChI=1S/C4H5ClN2S/c5-4-7-2-3(1-6)8-4/h2H,1,6H2
InChI Key:
KCDQBIMJBRASQE-UHFFFAOYSA-N
SMILES:
NCc1cnc(s1)Cl
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.986g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.608g/mol
Monoisotopic Mass:
147.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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