(3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid

C10H11FO3S — CID 66680042

IUPAC(3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid
SMILESO=C(O)C[C@H](O)CSc1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)/t8-/m0/s1
InChIKeyDTPBDYTVLTYRQM-QMMMGPOBSA-N
MW230.26 g/mol
LogP1.75
Rot. Bonds5

About (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid

(3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid (PubChem CID 66680042) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid
PubChem CID66680042
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name(3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid
SMILESO=C(O)C[C@H](O)CSc1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)/t8-/m0/s1
InChIKeyDTPBDYTVLTYRQM-QMMMGPOBSA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 97324
CID 97324
CID 2778889
CID 2778889
CID 7131505
CID 7131505
CID 4962867
CID 4962867
CID 49776860
CID 49776860
CID 10375436
CID 10375436
CID 11820095
CID 11820095
CID 43538143
CID 43538143
CID 117587688
CID 117587688
CID 428841
CID 428841
CID 61303533
CID 61303533
CID 46930652
CID 46930652

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
The IUPAC name of (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid (CID 66680042) is (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid.
What is the SMILES notation for (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
The canonical SMILES for (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid is O=C(O)C[C@H](O)CSc1ccc(F)cc1.
What is the InChIKey of (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
The InChIKey is DTPBDYTVLTYRQM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11FO3S/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
(3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid is sourced from PubChem (CID 66680042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).