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74752-62-8 | 3,5-dimethyl-5-pyridin-2-yl-1,3,4-thiadiazolidine-2-thione
CAS No: 74752-62-8 Catalog No: AG005HAN MDL No:
Product Description
Catalog Number:
AG005HAN
Chemical Name:
3,5-dimethyl-5-pyridin-2-yl-1,3,4-thiadiazolidine-2-thione
CAS Number:
74752-62-8
Molecular Formula:
C9H11N3S2
Molecular Weight:
225.3337
IUPAC Name:
3,5-dimethyl-5-pyridin-2-yl-1,3,4-thiadiazolidine-2-thione
InChI:
InChI=1S/C9H11N3S2/c1-9(7-5-3-4-6-10-7)11-12(2)8(13)14-9/h3-6,11H,1-2H3
InChI Key:
CQDDNBVPSLQVJU-UHFFFAOYSA-N
SMILES:
S=C1SC(NN1C)(C)c1ccccn1
NSC Number:
317907
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.328g/mol
Monoisotopic Mass:
225.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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