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27603-26-5 | 1,3,4-Thiadiazole, 2-(chloromethyl)-5-(methylsulfinyl)-
CAS No: 27603-26-5 Catalog No: AG002U7X MDL No:
Product Description
Catalog Number:
AG002U7X
Chemical Name:
1,3,4-Thiadiazole, 2-(chloromethyl)-5-(methylsulfinyl)-
CAS Number:
27603-26-5
Molecular Formula:
C4H5ClN2OS2
Molecular Weight:
196.6783
IUPAC Name:
2-(chloromethyl)-5-methylsulfinyl-1,3,4-thiadiazole
InChI:
InChI=1S/C4H5ClN2OS2/c1-10(8)4-7-6-3(2-5)9-4/h2H2,1H3
InChI Key:
FHMATFFUIFFQPR-UHFFFAOYSA-N
SMILES:
ClCc1nnc(s1)S(=O)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.953g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.667g/mol
Monoisotopic Mass:
195.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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