Home Other Building Blocks 2-(1,2,3-thiadiazol-4-yl)acetic acid

2-(1,2,3-thiadiazol-4-yl)acetic acid

CAS No.:
35987-88-3
Catalog Number:
AG01B5FC
Molecular Formula:
C4H4N2O2S
Molecular Weight:
144.1518
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Product Description
Catalog Number:
AG01B5FC
Chemical Name:
2-(1,2,3-thiadiazol-4-yl)acetic acid
CAS Number:
35987-88-3
Molecular Formula:
C4H4N2O2S
Molecular Weight:
144.1518
MDL Number:
MFCD19228937
IUPAC Name:
2-(thiadiazol-4-yl)acetic acid
InChI:
InChI=1S/C4H4N2O2S/c7-4(8)1-3-2-9-6-5-3/h2H,1H2,(H,7,8)
InChI Key:
ZSAROPYHJCBWKE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csnn1
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.999g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.148g/mol
Monoisotopic Mass:
143.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties