Home Aminos 5-(4-Butyl-phenylamino)-[1,3,4]thiadiazole-2-thiol

5-(4-Butyl-phenylamino)-[1,3,4]thiadiazole-2-thiol

CAS No.:
750613-93-5
Catalog Number:
AG00ICLM
Molecular Formula:
C12H15N3S2
Molecular Weight:
265.3976
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Product Description
Catalog Number:
AG00ICLM
Chemical Name:
5-(4-Butyl-phenylamino)-[1,3,4]thiadiazole-2-thiol
CAS Number:
750613-93-5
Molecular Formula:
C12H15N3S2
Molecular Weight:
265.3976
MDL Number:
MFCD03655883
IUPAC Name:
5-(4-butylanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C12H15N3S2/c1-2-3-4-9-5-7-10(8-6-9)13-11-14-15-12(16)17-11/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
UFYJLWRSIFAIJV-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)Nc1nnc(s1)S
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.393g/mol
Monoisotopic Mass:
265.071g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties