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210285-92-0 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[(1,1-dimethylethyl)thio]-
CAS No: 210285-92-0 Catalog No: AG002KNR MDL No:
Product Description
Catalog Number:
AG002KNR
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[(1,1-dimethylethyl)thio]-
CAS Number:
210285-92-0
Molecular Formula:
C6H10N2S3
Molecular Weight:
206.3520
IUPAC Name:
5-tert-butylsulfanyl-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C6H10N2S3/c1-6(2,3)11-5-8-7-4(9)10-5/h1-3H3,(H,7,9)
InChI Key:
KZFGKIXWACKGOM-UHFFFAOYSA-N
SMILES:
CC(Sc1n[nH]c(=S)s1)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.34g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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