3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol

C10H12Cl2O2S — CID 84585786

IUPAC3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2O2S/c11-8-1-2-10(12)7(3-8)5-15-6-9(14)4-13/h1-3,9,13-14H,4-6H2
InChIKeyICZLXJXCJLFHJD-UHFFFAOYSA-N
MW267.18 g/mol
LogP2.58
Rot. Bonds5

About 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol

3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol (PubChem CID 84585786) has the molecular formula C10H12Cl2O2S and a molecular weight of 267.18 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol
PubChem CID84585786
Molecular FormulaC10H12Cl2O2S
Molecular Weight267.18 g/mol
Exact Mass265.99
IUPAC Name3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2O2S/c11-8-1-2-10(12)7(3-8)5-15-6-9(14)4-13/h1-3,9,13-14H,4-6H2
InChIKeyICZLXJXCJLFHJD-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol 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

3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol
CID 71862901
(2S)-3-[(3,4-dichlorophenyl)methylsulfanyl]propane-1,2-diol
CID 97049217
3-[(2,5-dichlorophenyl)methylsulfanyl]-2-formamidopropanoic acid
CID 65317815
1-[5-chloro-3-(2,3-dihydroxypropylsulfanylmethyl)-2-hydroxyphenyl]ethanone
CID 79670884
3-[(2-chloro-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 102604918
(2S)-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]propane-1,2-diol
CID 97049241
1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
CID 103288623
3-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]propane-1,2-diol
CID 79682748
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 65316811
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
3-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]propane-1,2-diol
CID 79682199
ethyl 2-amino-4-[(2,5-dichlorophenyl)methylsulfanyl]butanoate
CID 65317915

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol (CID 84585786) is 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol is OCC(O)CSCc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol?
The InChIKey is ICZLXJXCJLFHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2S/c11-8-1-2-10(12)7(3-8)5-15-6-9(14)4-13/h1-3,9,13-14H,4-6H2.
What are the key properties of 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol?
3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol has a molecular weight of 267.18 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 84585786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).