Text Search
Structure Search

4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]butanoic acid

4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]butanoic acid

CAS: 353779-69-8

Formula: C9H12N2O3S

SMILES: CC1=CSC(NC(=O)CCCC(O)=O)=N1

IUPAC: 4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]butanoic acid

InChI: InChI=1S/C9H12N2O3S/c1-6-5-15-9(10-6)11-7(12)3-2-4-8(13)14/h5H,2-4H2,1H3,(H,13,14)(H,10,11,12)

Composition: C (47.36%), H (5.30%), N (12.27%), O (21.03%), S (14.05%)

Molar Mass: 228.27

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.056863428
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FVPCIQWWRVJOJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.69
Topological Polar Surface Area 79.29
Polarizability 20.94
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 353779-69-8 $404.27$404.27
Request Quote