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89723-76-2 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[[2-(dimethylamino)ethyl]thio]-
CAS No: 89723-76-2 Catalog No: AG00430X MDL No:
Product Description
Catalog Number:
AG00430X
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[[2-(dimethylamino)ethyl]thio]-
CAS Number:
89723-76-2
Molecular Formula:
C6H11N3S3
Molecular Weight:
221.3666
IUPAC Name:
5-[2-(dimethylamino)ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C6H11N3S3/c1-9(2)3-4-11-6-8-7-5(10)12-6/h3-4H2,1-2H3,(H,7,10)
InChI Key:
FBPSQQAGVARBNR-UHFFFAOYSA-N
SMILES:
CN(CCSc1n[nH]c(=S)s1)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.355g/mol
Monoisotopic Mass:
221.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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