Home Other Building Blocks 5-(pyrrolidin-1-yl)-1,3,4-thiadiazole-2-thiol

5-(pyrrolidin-1-yl)-1,3,4-thiadiazole-2-thiol

CAS No.:
66180-50-5
Catalog Number:
AG019WUQ
Molecular Formula:
C6H9N3S2
Molecular Weight:
187.2858
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Product Description
Catalog Number:
AG019WUQ
Chemical Name:
5-(pyrrolidin-1-yl)-1,3,4-thiadiazole-2-thiol
CAS Number:
66180-50-5
Molecular Formula:
C6H9N3S2
Molecular Weight:
187.2858
MDL Number:
MFCD16044840
IUPAC Name:
5-pyrrolidin-1-yl-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C6H9N3S2/c10-6-8-7-5(11-6)9-3-1-2-4-9/h1-4H2,(H,8,10)
InChI Key:
JZJHGTCUTANFKS-UHFFFAOYSA-N
SMILES:
Sc1nnc(s1)N1CCCC1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.279g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties