(2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol

C11H15ClO2S — CID 97221112

IUPAC(2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol
SMILESC[C@H](SC[C@@H](O)CO)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2S/c1-8(15-7-9(14)6-13)10-4-2-3-5-11(10)12/h2-5,8-9,13-14H,6-7H2,1H3/t8-,9-/m0/s1
InChIKeyCBFZXGWCUUALQN-IUCAKERBSA-N
MW246.76 g/mol
LogP2.49
Rot. Bonds5

About (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol

(2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol (PubChem CID 97221112) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol
PubChem CID97221112
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name(2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol
SMILESC[C@H](SC[C@@H](O)CO)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2S/c1-8(15-7-9(14)6-13)10-4-2-3-5-11(10)12/h2-5,8-9,13-14H,6-7H2,1H3/t8-,9-/m0/s1
InChIKeyCBFZXGWCUUALQN-IUCAKERBSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylethylsulfanyl)propane-1,2-diol
CID 79682648
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
(2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol
CID 97221129
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
[(1R)-1-(2-chlorophenyl)ethyl] butanoate
CID 141384028
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
3-[2-amino-1-(4-chlorophenyl)propyl]sulfanylpropane-1,2-diol
CID 79682481
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol?
The IUPAC name of (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol (CID 97221112) is (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol?
The canonical SMILES for (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol is C[C@H](SC[C@@H](O)CO)c1ccccc1Cl.
What is the InChIKey of (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol?
The InChIKey is CBFZXGWCUUALQN-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-8(15-7-9(14)6-13)10-4-2-3-5-11(10)12/h2-5,8-9,13-14H,6-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol?
(2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol has a molecular weight of 246.76 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 97221112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).