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1487920-81-9 | [1-(PROPAN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]METHANESULFONAMIDE
CAS No: 1487920-81-9 Catalog No: AG01B37I MDL No:MFCD21270243
Product Description
Catalog Number:
AG01B37I
Chemical Name:
[1-(PROPAN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]METHANESULFONAMIDE
CAS Number:
1487920-81-9
Molecular Formula:
C6H12N4O2S
Molecular Weight:
204.2501
MDL Number:
MFCD21270243
IUPAC Name:
(2-propan-2-yl-1,2,4-triazol-3-yl)methanesulfonamide
InChI:
InChI=1S/C6H12N4O2S/c1-5(2)10-6(8-4-9-10)3-13(7,11)12/h4-5H,3H2,1-2H3,(H2,7,11,12)
InChI Key:
MIKIJQKDYGHNIO-UHFFFAOYSA-N
SMILES:
CC(n1ncnc1CS(=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:
-0.8
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