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89723-66-0 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[(methylthio)methyl]-
CAS No: 89723-66-0 Catalog No: AG0042CY MDL No:
Product Description
Catalog Number:
AG0042CY
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[(methylthio)methyl]-
CAS Number:
89723-66-0
Molecular Formula:
C4H6N2S3
Molecular Weight:
178.2988
IUPAC Name:
5-(methylsulfanylmethyl)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C4H6N2S3/c1-8-2-3-5-6-4(7)9-3/h2H2,1H3,(H,6,7)
InChI Key:
RRWMUNAPRJOZAZ-UHFFFAOYSA-N
SMILES:
CSCc1n[nH]c(=S)s1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.969g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.286g/mol
Monoisotopic Mass:
177.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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