1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride

C6H9ClN2O2S — CID 138532545

IUPAC1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride
SMILESC[C@@H](O)Cn1ccc(S(=O)Cl)n1
InChIInChI=1S/C6H9ClN2O2S/c1-5(10)4-9-3-2-6(8-9)12(7)11/h2-3,5,10H,4H2,1H3/t5-,12?/m1/s1
InChIKeyTXCCWLXDABPTDD-ZLHBUEOZSA-N
MW208.67 g/mol
LogP0.53
Rot. Bonds3

About 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride

1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride (PubChem CID 138532545) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride
PubChem CID138532545
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride
SMILESC[C@@H](O)Cn1ccc(S(=O)Cl)n1
InChIInChI=1S/C6H9ClN2O2S/c1-5(10)4-9-3-2-6(8-9)12(7)11/h2-3,5,10H,4H2,1H3/t5-,12?/m1/s1
InChIKeyTXCCWLXDABPTDD-ZLHBUEOZSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride (CID 138532545) is 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride is C[C@@H](O)Cn1ccc(S(=O)Cl)n1.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride?
The InChIKey is TXCCWLXDABPTDD-ZLHBUEOZSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-5(10)4-9-3-2-6(8-9)12(7)11/h2-3,5,10H,4H2,1H3/t5-,12?/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride?
1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride has a molecular weight of 208.67 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]pyrazole-3-sulfinyl chloride is sourced from PubChem (CID 138532545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).