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89578-89-2 | 1,3,4-Thiadiazole-3(2H)-carboxamide, N,2,2-trimethyl-5-(methylthio)-
CAS No: 89578-89-2 Catalog No: AG003Z8S MDL No:
Product Description
Catalog Number:
AG003Z8S
Chemical Name:
1,3,4-Thiadiazole-3(2H)-carboxamide, N,2,2-trimethyl-5-(methylthio)-
CAS Number:
89578-89-2
Molecular Formula:
C7H13N3OS2
Molecular Weight:
219.3276
IUPAC Name:
N,2,2-trimethyl-5-methylsulfanyl-1,3,4-thiadiazole-3-carboxamide
InChI:
InChI=1S/C7H13N3OS2/c1-7(2)10(5(11)8-3)9-6(12-4)13-7/h1-4H3,(H,8,11)
InChI Key:
HMYUKLZPRZALBB-UHFFFAOYSA-N
SMILES:
CNC(=O)N1N=C(SC1(C)C)SC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.321g/mol
Monoisotopic Mass:
219.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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