(2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol

C8H10ClNO2S — CID 124506944

IUPAC(2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol
SMILESOC[C@H](O)CSc1ccc(Cl)cn1
InChIInChI=1S/C8H10ClNO2S/c9-6-1-2-8(10-3-6)13-5-7(12)4-11/h1-3,7,11-12H,4-5H2/t7-/m0/s1
InChIKeyKTOPYBKPDUIDMW-ZETCQYMHSA-N
MW219.69 g/mol
LogP1.18
Rot. Bonds4

About (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol

(2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol (PubChem CID 124506944) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol
PubChem CID124506944
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name(2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol
SMILESOC[C@H](O)CSc1ccc(Cl)cn1
InChIInChI=1S/C8H10ClNO2S/c9-6-1-2-8(10-3-6)13-5-7(12)4-11/h1-3,7,11-12H,4-5H2/t7-/m0/s1
InChIKeyKTOPYBKPDUIDMW-ZETCQYMHSA-N
XLogP1.18
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The IUPAC name of (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol (CID 124506944) is (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol is OC[C@H](O)CSc1ccc(Cl)cn1.
What is the InChIKey of (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The InChIKey is KTOPYBKPDUIDMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c9-6-1-2-8(10-3-6)13-5-7(12)4-11/h1-3,7,11-12H,4-5H2/t7-/m0/s1.
What are the key properties of (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol?
(2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol has a molecular weight of 219.69 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(5-chloro-2-pyridinyl)sulfanyl]propane-1,2-diol is sourced from PubChem (CID 124506944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).