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72885-87-1 | 3H,5H-1,2,4-Dithiazolo[4,3-a]pyrimidine-3-thione, 6,7-dihydro-
CAS No: 72885-87-1 Catalog No: AG005O16 MDL No:
Product Description
Catalog Number:
AG005O16
Chemical Name:
3H,5H-1,2,4-Dithiazolo[4,3-a]pyrimidine-3-thione, 6,7-dihydro-
CAS Number:
72885-87-1
Molecular Formula:
C5H6N2S3
Molecular Weight:
190.3095
IUPAC Name:
6,7-dihydro-5H-[1,2,4]dithiazolo[4,3-a]pyrimidine-3-thione
InChI:
InChI=1S/C5H6N2S3/c8-5-7-3-1-2-6-4(7)9-10-5/h1-3H2
InChI Key:
NDVCIMHVMKFSIU-UHFFFAOYSA-N
SMILES:
S=c1ssc2=NCCCn12
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.969g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.297g/mol
Monoisotopic Mass:
189.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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