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72836-32-9 | 5-(Pentan-2-yl);-1,3,4-thiadiazol-2-amine
CAS No: 72836-32-9 Catalog No: AG005E8K MDL No:MFCD07364757
Product Description
Catalog Number:
AG005E8K
Chemical Name:
5-(Pentan-2-yl);-1,3,4-thiadiazol-2-amine
CAS Number:
72836-32-9
Molecular Formula:
C7H13N3S
Molecular Weight:
171.2632
MDL Number:
MFCD07364757
IUPAC Name:
5-pentan-2-yl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C7H13N3S/c1-3-4-5(2)6-9-10-7(8)11-6/h5H,3-4H2,1-2H3,(H2,8,10)
InChI Key:
HOHNTLTVCFMTLE-UHFFFAOYSA-N
SMILES:
CC(c1nnc(s1)N)CCC
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.083g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.262g/mol
Monoisotopic Mass:
171.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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