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89601-20-7 | 5-(ISOBUTYLTHIO)-1,3,4-THIADIAZOLE-2-THIOL
CAS No: 89601-20-7 Catalog No: AG003YTU MDL No:MFCD03789545
Product Description
Catalog Number:
AG003YTU
Chemical Name:
5-(ISOBUTYLTHIO)-1,3,4-THIADIAZOLE-2-THIOL
CAS Number:
89601-20-7
Molecular Formula:
C6H10N2S3
Molecular Weight:
206.3520
MDL Number:
MFCD03789545
IUPAC Name:
5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C6H10N2S3/c1-4(2)3-10-6-8-7-5(9)11-6/h4H,3H2,1-2H3,(H,7,9)
InChI Key:
LZWJKDGGWUOHSF-UHFFFAOYSA-N
SMILES:
CC(CSc1nnc(s1)S)C
Properties
Complexity:
188
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:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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