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125908-44-3 | 1,3,4-Thiadiazole-2(3H)-thione, 5-(propylamino)-
CAS No: 125908-44-3 Catalog No: AG000OYN MDL No:MFCD07314187
Product Description
Catalog Number:
AG000OYN
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-(propylamino)-
CAS Number:
125908-44-3
Molecular Formula:
C5H9N3S2
Molecular Weight:
175.2751
MDL Number:
MFCD07314187
IUPAC Name:
5-(propylamino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C5H9N3S2/c1-2-3-6-4-7-8-5(9)10-4/h2-3H2,1H3,(H,6,7)(H,8,9)
InChI Key:
NJQJHXZXNVNCMI-UHFFFAOYSA-N
SMILES:
CCCNc1n[nH]c(=S)s1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.268g/mol
Monoisotopic Mass:
175.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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