Home Halogens 3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

CAS No.:
1019441-76-9
Catalog Number:
AG01AAC8
Molecular Formula:
C8H6ClN3S2
Molecular Weight:
243.7363
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Product Description
Catalog Number:
AG01AAC8
Chemical Name:
3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CAS Number:
1019441-76-9
Molecular Formula:
C8H6ClN3S2
Molecular Weight:
243.7363
MDL Number:
MFCD11132428
IUPAC Name:
3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
InChI:
InChI=1S/C8H6ClN3S2/c9-6-3-5(10)1-2-7(6)14-8-12-11-4-13-8/h1-4H,10H2
InChI Key:
QUOZQXMRUXRXAR-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)Sc1nncs1
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.727g/mol
Monoisotopic Mass:
242.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties