Text Search
Structure Search

4-({[(2-carboxyethyl)sulfanyl]methanethioyl}sulfanyl)-4-cyano-4-methylbutanoic acid

4-({[(2-carboxyethyl)sulfanyl]methanethioyl}sulfanyl)-4-cyano-4-methylbutanoic acid

Formula: C10H13NO4S3

SMILES: CC(CCC(O)=O)(SC(=S)SCCC(O)=O)C#N

IUPAC: 4-({[(2-carboxyethyl)sulfanyl]methanethioyl}sulfanyl)-4-cyano-4-methylbutanoic acid

InChI: InChI=1/C10H13NO4S3/c1-10(6-11,4-2-7(12)13)18-9(16)17-5-3-8(14)15/h2-5H2,1H3,(H,12,13)(H,14,15)

Composition: C (39.07%), H (4.26%), N (4.56%), O (20.82%), S (31.29%)

Molar Mass: 307.4

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 307.000671425
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CTLAWKZAJCYIFX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.66
Topological Polar Surface Area 98.39
Polarizability 29.73
Ring Count 0
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C10H13NO4S3 Quote Only