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90185-28-7

90185-28-7 | 1H-Pyrazole-4-sulfonyl isocyanate, 1,3,5-trimethyl-

CAS No: 90185-28-7 Catalog No: AG006GIK MDL No:

Product Description

Catalog Number:
AG006GIK
Chemical Name:
1H-Pyrazole-4-sulfonyl isocyanate, 1,3,5-trimethyl-
CAS Number:
90185-28-7
Molecular Formula:
C7H9N3O3S
Molecular Weight:
215.2297
IUPAC Name:
1,3,5-trimethyl-N-(oxomethylidene)pyrazole-4-sulfonamide
InChI:
InChI=1S/C7H9N3O3S/c1-5-7(6(2)10(3)9-5)14(12,13)8-4-11/h1-3H3
InChI Key:
JTKXBUMEAJTNRP-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)c1c(C)nn(c1C)C

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.227g/mol
Monoisotopic Mass:
215.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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