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13275-68-8 | 1,3,4-Thiadiazol-2-amine, N-ethyl-
CAS No: 13275-68-8 Catalog No: AG00113X MDL No:MFCD00051319
Product Description
Catalog Number:
AG00113X
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-ethyl-
CAS Number:
13275-68-8
Molecular Formula:
C4H7N3S
Molecular Weight:
129.1835
MDL Number:
MFCD00051319
IUPAC Name:
N-ethyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C4H7N3S/c1-2-5-4-7-6-3-8-4/h3H,2H2,1H3,(H,5,7)
InChI Key:
PINNQKFNRKECFX-UHFFFAOYSA-N
SMILES:
CCNc1nncs1
NSC Number:
4730
Properties
Complexity:
68.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.036g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.181g/mol
Monoisotopic Mass:
129.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| 5-(Thio-phen-2-ylmeth-yl)-1,3,4-thia-diazol-2-amine. | Acta crystallographica. Section E, Structure reports online 20120501 |
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