(2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol

C5H11O3PS — CID 11849492

IUPAC(2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol
SMILESCOP1(=S)CCC(CO)O1
InChIInChI=1S/C5H11O3PS/c1-7-9(10)3-2-5(4-6)8-9/h5-6H,2-4H2,1H3
InChIKeyOSZVTQBPNSMXIE-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.72
Rot. Bonds2

About (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol

(2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol (PubChem CID 11849492) has the molecular formula C5H11O3PS and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol
PubChem CID11849492
Molecular FormulaC5H11O3PS
Molecular Weight182.18 g/mol
Exact Mass182.02
IUPAC Name(2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol
SMILESCOP1(=S)CCC(CO)O1
InChIInChI=1S/C5H11O3PS/c1-7-9(10)3-2-5(4-6)8-9/h5-6H,2-4H2,1H3
InChIKeyOSZVTQBPNSMXIE-UHFFFAOYSA-N
XLogP0.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 169187680
CID 169187680
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
(5-methoxyoxan-2-yl)methanol
CID 54040462
[(2R)-5-(dimethylamino)oxolan-2-yl]methanol
CID 59319470
(2R,5R)-2-ethyl-5-methyl-2-sulfanylidene-1,2λ5-oxaphospholane
CID 11899665
methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
CID 143037549
6-(hydroxymethyl)-2-methoxyoxane-2,3-diol
CID 156818457
oxiran-2-ylmethanol;propane
CID 91466926
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
[(2S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hypoiodite
CID 142600724
[(2S,5R)-5-ethoxyoxan-2-yl]methanol
CID 166908026
[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 57325873

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol?
The IUPAC name of (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol (CID 11849492) is (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol.
What is the SMILES notation for (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol?
The canonical SMILES for (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol is COP1(=S)CCC(CO)O1.
What is the InChIKey of (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol?
The InChIKey is OSZVTQBPNSMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3PS/c1-7-9(10)3-2-5(4-6)8-9/h5-6H,2-4H2,1H3.
What are the key properties of (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol?
(2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol has a molecular weight of 182.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-sulfanylidene-1,2lambda5-oxaphospholan-5-yl)methanol is sourced from PubChem (CID 11849492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).