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33120-79-5 | 2(3H)-Thiazolethione,4-(1-methylethyl)-(9CI)
CAS No: 33120-79-5 Catalog No: AG00CY88 MDL No:MFCD20293789
Product Description
Catalog Number:
AG00CY88
Chemical Name:
2(3H)-Thiazolethione,4-(1-methylethyl)-(9CI)
CAS Number:
33120-79-5
Molecular Formula:
C6H9NS2
Molecular Weight:
159.2724
MDL Number:
MFCD20293789
IUPAC Name:
4-propan-2-yl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C6H9NS2/c1-4(2)5-3-9-6(8)7-5/h3-4H,1-2H3,(H,7,8)
InChI Key:
BACKYMNXXFPCRL-UHFFFAOYSA-N
SMILES:
CC(c1csc(n1)S)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.018g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.265g/mol
Monoisotopic Mass:
159.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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