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1601045-72-0 | 3-methyl-1-[(1,3-thiazol-2-yl)methyl]urea
CAS No: 1601045-72-0 Catalog No: AG01BXKW MDL No:MFCD30487855
Product Description
Catalog Number:
AG01BXKW
Chemical Name:
3-methyl-1-[(1,3-thiazol-2-yl)methyl]urea
CAS Number:
1601045-72-0
Molecular Formula:
C6H9N3OS
Molecular Weight:
171.2202
MDL Number:
MFCD30487855
IUPAC Name:
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
InChI:
InChI=1S/C6H9N3OS/c1-7-6(10)9-4-5-8-2-3-11-5/h2-3H,4H2,1H3,(H2,7,9,10)
InChI Key:
RMQDESDSPTUSBM-UHFFFAOYSA-N
SMILES:
CNC(=O)NCc1nccs1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.218g/mol
Monoisotopic Mass:
171.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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