Home Other Building Blocks bis(methylsulfanyl)-1,2,4-thiadiazole

bis(methylsulfanyl)-1,2,4-thiadiazole

CAS No.:
41218-42-2
Catalog Number:
AG019LFW
Molecular Formula:
C4H6N2S3
Molecular Weight:
178.2988
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Product Description
Catalog Number:
AG019LFW
Chemical Name:
bis(methylsulfanyl)-1,2,4-thiadiazole
CAS Number:
41218-42-2
Molecular Formula:
C4H6N2S3
Molecular Weight:
178.2988
MDL Number:
MFCD01935194
IUPAC Name:
3,5-bis(methylsulfanyl)-1,2,4-thiadiazole
InChI:
InChI=1S/C4H6N2S3/c1-7-3-5-4(8-2)9-6-3/h1-2H3
InChI Key:
JIMZKZWNBXHIEA-UHFFFAOYSA-N
SMILES:
CSc1snc(n1)SC
Properties
Complexity:
89.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.969g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.286g/mol
Monoisotopic Mass:
177.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties