Home Other Building Blocks 2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetic acid

2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetic acid

CAS No.:
436091-57-5
Catalog Number:
AG019JQP
Molecular Formula:
C8H10N2O4S
Molecular Weight:
230.2410
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Product Description
Catalog Number:
AG019JQP
Chemical Name:
2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetic acid
CAS Number:
436091-57-5
Molecular Formula:
C8H10N2O4S
Molecular Weight:
230.2410
MDL Number:
MFCD00096559
IUPAC Name:
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
InChI:
InChI=1S/C8H10N2O4S/c1-5-2-6(10-14-5)9-7(11)3-15-4-8(12)13/h2H,3-4H2,1H3,(H,12,13)(H,9,10,11)
InChI Key:
NCHMGTZBZZBPEW-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)NC(=O)CSCC(=O)O
NSC Number:
372774
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.036g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties