Home Other Building Blocks 2,5-bis(methylsulfanyl)-1,3,4-thiadiazole

2,5-bis(methylsulfanyl)-1,3,4-thiadiazole

CAS No.:
7653-69-2
Catalog Number:
AG003FW6
Molecular Formula:
C4H6N2S3
Molecular Weight:
178.2988
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Product Description
Catalog Number:
AG003FW6
Chemical Name:
2,5-bis(methylsulfanyl)-1,3,4-thiadiazole
CAS Number:
7653-69-2
Molecular Formula:
C4H6N2S3
Molecular Weight:
178.2988
MDL Number:
MFCD00832201
IUPAC Name:
2,5-bis(methylsulfanyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C4H6N2S3/c1-7-3-5-6-4(8-2)9-3/h1-2H3
InChI Key:
IUVACELPFXBLHY-UHFFFAOYSA-N
SMILES:
CSc1nnc(s1)SC
NSC Number:
96613
Properties
Complexity:
79.9  
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:
2.1  
Properties