sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 5-(3,4-Dimethyl-phenylamino)-[1,3,4]thiadiazole-2-thiol

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

CAS No.:
380191-00-4
Catalog Number:
AG00I7H3
Molecular Formula:
C10H11N3S2
Molecular Weight:
237.3444
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00I7H3
Chemical Name:
5-(3,4-Dimethyl-phenylamino)-[1,3,4]thiadiazole-2-thiol
CAS Number:
380191-00-4
Molecular Formula:
C10H11N3S2
Molecular Weight:
237.3444
MDL Number:
MFCD02720739
IUPAC Name:
5-(3,4-dimethylanilino)-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C10H11N3S2/c1-6-3-4-8(5-7(6)2)11-9-12-13-10(14)15-9/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
RNCSODFVQZANEB-UHFFFAOYSA-N
SMILES:
Sc1nnc(s1)Nc1ccc(c(c1)C)C
NSC Number:
157322
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.339g/mol
Monoisotopic Mass:
237.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties