chloromethoxymethanol;sulfanylmethoxymethanol

C4H11ClO4S — CID 157258379

IUPACchloromethoxymethanol;sulfanylmethoxymethanol
SMILESOCOCCl.OCOCS
InChIInChI=1S/C2H5ClO2.C2H6O2S/c3-1-5-2-4;3-1-4-2-5/h4H,1-2H2;3,5H,1-2H2
InChIKeyAXDVEWGLEJAFJW-UHFFFAOYSA-N
MW190.65 g/mol
LogP-0.01
Rot. Bonds4

About chloromethoxymethanol;sulfanylmethoxymethanol

chloromethoxymethanol;sulfanylmethoxymethanol (PubChem CID 157258379) has the molecular formula C4H11ClO4S and a molecular weight of 190.65 g/mol. Its IUPAC name is chloromethoxymethanol;sulfanylmethoxymethanol.

Molecular Properties

Compound Namechloromethoxymethanol;sulfanylmethoxymethanol
PubChem CID157258379
Molecular FormulaC4H11ClO4S
Molecular Weight190.65 g/mol
Exact Mass190.01
IUPAC Namechloromethoxymethanol;sulfanylmethoxymethanol
SMILESOCOCCl.OCOCS
InChIInChI=1S/C2H5ClO2.C2H6O2S/c3-1-5-2-4;3-1-4-2-5/h4H,1-2H2;3,5H,1-2H2
InChIKeyAXDVEWGLEJAFJW-UHFFFAOYSA-N
XLogP-0.01
TPSA58.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloroethoxymethanethiol
CID 57228753
hydroxymethoxymethanol;methane
CID 157392016
azane;hydroxymethoxymethanol
CID 174600745
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
hydroxymethoxymethoxymethanol;methane
CID 160891594
chloro(chloromethoxy)methane;formaldehyde
CID 174966735
chloromethoxy(chloromethoxymethoxy)methane
CID 22246685
chloromethoxymethyl(hydroxy)silane
CID 123381312
2-(sulfanylmethoxy)propane-1,3-diol
CID 87448610
2,2-dichloroethoxymethanol
CID 71367680
3-(chloromethoxy)propan-1-amine
CID 139894761
azane;chloromethanethiol
CID 156690600

Frequently Asked Questions

What is the IUPAC name of chloromethoxymethanol;sulfanylmethoxymethanol?
The IUPAC name of chloromethoxymethanol;sulfanylmethoxymethanol (CID 157258379) is chloromethoxymethanol;sulfanylmethoxymethanol.
What is the SMILES notation for chloromethoxymethanol;sulfanylmethoxymethanol?
The canonical SMILES for chloromethoxymethanol;sulfanylmethoxymethanol is OCOCCl.OCOCS.
What is the InChIKey of chloromethoxymethanol;sulfanylmethoxymethanol?
The InChIKey is AXDVEWGLEJAFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO2.C2H6O2S/c3-1-5-2-4;3-1-4-2-5/h4H,1-2H2;3,5H,1-2H2.
What are the key properties of chloromethoxymethanol;sulfanylmethoxymethanol?
chloromethoxymethanol;sulfanylmethoxymethanol has a molecular weight of 190.65 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethoxymethanol;sulfanylmethoxymethanol is sourced from PubChem (CID 157258379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).