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1864297-10-8 | [1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methanesulfonamide
CAS No: 1864297-10-8 Catalog No: AG01BLZI MDL No:MFCD31425507
Product Description
Catalog Number:
AG01BLZI
Chemical Name:
[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methanesulfonamide
CAS Number:
1864297-10-8
Molecular Formula:
C6H12N4O2S
Molecular Weight:
204.2501
MDL Number:
MFCD31425507
IUPAC Name:
(1-propan-2-yltriazol-4-yl)methanesulfonamide
InChI:
InChI=1S/C6H12N4O2S/c1-5(2)10-3-6(8-9-10)4-13(7,11)12/h3,5H,4H2,1-2H3,(H2,7,11,12)
InChI Key:
VCMYOFKIGLHVPI-UHFFFAOYSA-N
SMILES:
CC(n1nnc(c1)CS(=O)(=O)N)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.248g/mol
Monoisotopic Mass:
204.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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