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178369-70-5 | 1,2,5-Thiadiazol-3(2H)-one, 4-(propylthio)-
CAS No: 178369-70-5 Catalog No: AG0025YT MDL No:
Product Description
Catalog Number:
AG0025YT
Chemical Name:
1,2,5-Thiadiazol-3(2H)-one, 4-(propylthio)-
CAS Number:
178369-70-5
Molecular Formula:
C5H8N2OS2
Molecular Weight:
176.2598
IUPAC Name:
4-propylsulfanyl-1,2,5-thiadiazol-3-one
InChI:
InChI=1S/C5H8N2OS2/c1-2-3-9-5-4(8)6-10-7-5/h2-3H2,1H3,(H,6,8)
InChI Key:
AZZNQLPZRVNQLI-UHFFFAOYSA-N
SMILES:
CCCSc1ns[nH]c1=O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.008g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.252g/mol
Monoisotopic Mass:
176.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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