Home Aminos 2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid

2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid

CAS No.:
565165-62-0
Catalog Number:
AG00IA2V
Molecular Formula:
C12H13N3O2S2
Molecular Weight:
295.3805
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Product Description
Catalog Number:
AG00IA2V
Chemical Name:
2-({5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetic acid
CAS Number:
565165-62-0
Molecular Formula:
C12H13N3O2S2
Molecular Weight:
295.3805
MDL Number:
MFCD03965212
IUPAC Name:
2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C12H13N3O2S2/c1-7-4-3-5-8(2)10(7)13-11-14-15-12(19-11)18-6-9(16)17/h3-5H,6H2,1-2H3,(H,13,14)(H,16,17)
InChI Key:
FAGXJGCSEOVNKV-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nnc(s1)Nc1c(C)cccc1C
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.045g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.375g/mol
Monoisotopic Mass:
295.045g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties