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14068-54-3 | 1,3,4-Thiadiazol-2-amine, 5-butyl-
CAS No: 14068-54-3 Catalog No: AG001COP MDL No:MFCD00719784
Product Description
Catalog Number:
AG001COP
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-butyl-
CAS Number:
14068-54-3
Molecular Formula:
C6H11N3S
Molecular Weight:
157.2366
MDL Number:
MFCD00719784
IUPAC Name:
5-butyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C6H11N3S/c1-2-3-4-5-8-9-6(7)10-5/h2-4H2,1H3,(H2,7,9)
InChI Key:
ZVMPWERUANCLFH-UHFFFAOYSA-N
SMILES:
CCCCc1nnc(s1)N
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.067g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.235g/mol
Monoisotopic Mass:
157.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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