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100096-64-8 | 7H-1,3,4-Thiadiazolo[3,2-a]pyrimidine, 5,7,7-trimethyl-
CAS No: 100096-64-8 Catalog No: AG0000WN MDL No:
Product Description
Catalog Number:
AG0000WN
Chemical Name:
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidine, 5,7,7-trimethyl-
CAS Number:
100096-64-8
Molecular Formula:
C8H11N3S
Molecular Weight:
181.2580
IUPAC Name:
5,7,7-trimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine
InChI:
InChI=1S/C8H11N3S/c1-6-4-8(2,3)10-7-11(6)9-5-12-7/h4-5H,1-3H3
InChI Key:
UKIFCBJJAOHBCP-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)N=c2n1ncs2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.257g/mol
Monoisotopic Mass:
181.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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