(2-chloro-1-ethenoxyethylidene)-sulfidooxidanium

C4H5ClO2S — CID 140976659

IUPAC(2-chloro-1-ethenoxyethylidene)-sulfidooxidanium
SMILESC=CO/C(CCl)=[O+]/[S-]
InChIInChI=1S/C4H5ClO2S/c1-2-6-4(3-5)7-8/h2H,1,3H2
InChIKeyJKYJWUBRIFSEEL-UHFFFAOYSA-N
MW152.60 g/mol
LogP0.91
Rot. Bonds2

About (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium

(2-chloro-1-ethenoxyethylidene)-sulfidooxidanium (PubChem CID 140976659) has the molecular formula C4H5ClO2S and a molecular weight of 152.60 g/mol. Its IUPAC name is (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium.

Molecular Properties

Compound Name(2-chloro-1-ethenoxyethylidene)-sulfidooxidanium
PubChem CID140976659
Molecular FormulaC4H5ClO2S
Molecular Weight152.60 g/mol
Exact Mass151.97
IUPAC Name(2-chloro-1-ethenoxyethylidene)-sulfidooxidanium
SMILESC=CO/C(CCl)=[O+]/[S-]
InChIInChI=1S/C4H5ClO2S/c1-2-6-4(3-5)7-8/h2H,1,3H2
InChIKeyJKYJWUBRIFSEEL-UHFFFAOYSA-N
XLogP0.91
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

dichloromethane;ethenyl acetate
CID 86614662
ethenyl 3-chloropropanoate
CID 13050129
(1E)-1,2-dichloro-3-(chloromethyl)buta-1,3-diene
CID 13213505
azane;chloromethyl ethenyl carbonate
CID 174846723
ethenyl 2-chloroacetate;ethenyl 2-chloropropanoate
CID 23322956
1-ethenoxyoctadecylidene(oxido)oxidanium
CID 171482114
ethenyl 3-oxopropanoate
CID 57245020
2-chloroethanol;ethenoxyethene
CID 19805128
3-chloro-2-ethenoxyprop-2-enoic acid
CID 129245177
sodium;ethenyl carbamate;hydride
CID 174882073
ethenyl carbonochloridate;methane;dihydrochloride
CID 174491534
bis(ethenyl) carbonate;ethene
CID 87073622

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium?
The IUPAC name of (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium (CID 140976659) is (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium.
What is the SMILES notation for (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium?
The canonical SMILES for (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium is C=CO/C(CCl)=[O+]/[S-].
What is the InChIKey of (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium?
The InChIKey is JKYJWUBRIFSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO2S/c1-2-6-4(3-5)7-8/h2H,1,3H2.
What are the key properties of (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium?
(2-chloro-1-ethenoxyethylidene)-sulfidooxidanium has a molecular weight of 152.60 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-ethenoxyethylidene)-sulfidooxidanium is sourced from PubChem (CID 140976659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).