(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol

C6H13ClO2S — CID 13291396

IUPAC(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol
SMILESC[C@H]([C@@H](C)O)[S@](=O)CCCl
InChIInChI=1S/C6H13ClO2S/c1-5(8)6(2)10(9)4-3-7/h5-6,8H,3-4H2,1-2H3/t5-,6-,10-/m1/s1
InChIKeyXVPBKZQFEUHTQA-OXOINMOOSA-N
MW184.69 g/mol
LogP0.74
Rot. Bonds4

About (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol

(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol (PubChem CID 13291396) has the molecular formula C6H13ClO2S and a molecular weight of 184.69 g/mol. Its IUPAC name is (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol
PubChem CID13291396
Molecular FormulaC6H13ClO2S
Molecular Weight184.69 g/mol
Exact Mass184.03
IUPAC Name(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol
SMILESC[C@H]([C@@H](C)O)[S@](=O)CCCl
InChIInChI=1S/C6H13ClO2S/c1-5(8)6(2)10(9)4-3-7/h5-6,8H,3-4H2,1-2H3/t5-,6-,10-/m1/s1
InChIKeyXVPBKZQFEUHTQA-OXOINMOOSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.69
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol?
The IUPAC name of (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol (CID 13291396) is (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol.
What is the SMILES notation for (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol?
The canonical SMILES for (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol is C[C@H]([C@@H](C)O)[S@](=O)CCCl.
What is the InChIKey of (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol?
The InChIKey is XVPBKZQFEUHTQA-OXOINMOOSA-N. The full InChI is InChI=1S/C6H13ClO2S/c1-5(8)6(2)10(9)4-3-7/h5-6,8H,3-4H2,1-2H3/t5-,6-,10-/m1/s1.
What are the key properties of (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol?
(2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol has a molecular weight of 184.69 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(R)-2-chloroethylsulfinyl]butan-2-ol is sourced from PubChem (CID 13291396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).