(2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol

C9H11ClFNOS — CID 54444505

IUPAC(2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol
SMILESC[C@H](O)CSc1c(N)ccc(F)c1Cl
InChIInChI=1S/C9H11ClFNOS/c1-5(13)4-14-9-7(12)3-2-6(11)8(9)10/h2-3,5,13H,4,12H2,1H3/t5-/m0/s1
InChIKeyWQNVVBJAAWLWDA-YFKPBYRVSA-N
MW235.71 g/mol
LogP2.53
Rot. Bonds3

About (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol

(2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 54444505) has the molecular formula C9H11ClFNOS and a molecular weight of 235.71 g/mol. Its IUPAC name is (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol
PubChem CID54444505
Molecular FormulaC9H11ClFNOS
Molecular Weight235.71 g/mol
Exact Mass235.02
IUPAC Name(2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol
SMILESC[C@H](O)CSc1c(N)ccc(F)c1Cl
InChIInChI=1S/C9H11ClFNOS/c1-5(13)4-14-9-7(12)3-2-6(11)8(9)10/h2-3,5,13H,4,12H2,1H3/t5-/m0/s1
InChIKeyWQNVVBJAAWLWDA-YFKPBYRVSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol 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

2-(6-amino-2-chloro-3-fluorophenyl)sulfanylethanol
CID 19861724
(1S)-1-(3-amino-4-fluorophenyl)ethanol
CID 70331602
2-chloro-1,4-difluoro-3-methylsulfanylbenzene
CID 119011938
1-[4-(2-hydroxypropylsulfanyl)phenyl]sulfanylpropan-2-ol
CID 90842092
2-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 117295344
propan-2-yl 3-amino-2-chloro-6-fluorobenzoate
CID 135395557
3-chloro-4-fluorobenzene-1,2-diamine;hydrochloride
CID 155858641
3-(2-amino-4-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 61319859
1-(2-amino-4-chloroanilino)propan-2-ol
CID 15932693
2-chloro-4-fluoro-3-methylaniline
CID 13251510
4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
CID 66077275
2-amino-4-(4-chlorophenyl)-6-(2-hydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739701

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol (CID 54444505) is (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol is C[C@H](O)CSc1c(N)ccc(F)c1Cl.
What is the InChIKey of (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is WQNVVBJAAWLWDA-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11ClFNOS/c1-5(13)4-14-9-7(12)3-2-6(11)8(9)10/h2-3,5,13H,4,12H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol?
(2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 235.71 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-amino-2-chloro-3-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 54444505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).