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113294-79-4 | Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dithione, 2-(methylthio)-
CAS No: 113294-79-4 Catalog No: AG0079G2 MDL No:
Product Description
Catalog Number:
AG0079G2
Chemical Name:
Thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dithione, 2-(methylthio)-
CAS Number:
113294-79-4
Molecular Formula:
C6H5N3S4
Molecular Weight:
247.3840
IUPAC Name:
2-methylsulfanyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dithione
InChI:
InChI=1S/C6H5N3S4/c1-12-6-8-3-2(13-6)4(10)9-5(11)7-3/h1H3,(H2,7,9,10,11)
InChI Key:
ZSLPURGFFOIRAZ-UHFFFAOYSA-N
SMILES:
CSc1nc2c(s1)c(=S)[nH]c(=S)[nH]2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.367g/mol
Monoisotopic Mass:
246.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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