Home Other Building Blocks 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid

2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid

CAS No.:
893745-58-9
Catalog Number:
AG019V06
Molecular Formula:
C5H6N2O2S2
Molecular Weight:
190.2433
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Product Description
Catalog Number:
AG019V06
Chemical Name:
2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
CAS Number:
893745-58-9
Molecular Formula:
C5H6N2O2S2
Molecular Weight:
190.2433
MDL Number:
MFCD06803724
IUPAC Name:
2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
InChI:
InChI=1S/C5H6N2O2S2/c1-3(4(8)9)11-5-7-6-2-10-5/h2-3H,1H3,(H,8,9)
InChI Key:
SFHYUQDITCVKIT-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Sc1nncs1
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.987g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.235g/mol
Monoisotopic Mass:
189.987g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties