methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate

C8H20ClO8S2+ — CID 157421302

IUPACmethanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate
SMILESCOCCO.COCCOS(C)(=O)=O.[CH2+]S(=O)(=O)Cl
InChIInChI=1S/C4H10O4S.C3H8O2.CH2ClO2S/c1-7-3-4-8-9(2,5)6;1-5-3-2-4;1-5(2,3)4/h3-4H2,1-2H3;4H,2-3H2,1H3;1H2/q;;+1
InChIKeyBPLAJNRWJSKAEB-UHFFFAOYSA-N
MW343.83 g/mol
LogP-0.42
Rot. Bonds6

About methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate

methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate (PubChem CID 157421302) has the molecular formula C8H20ClO8S2+ and a molecular weight of 343.83 g/mol. Its IUPAC name is methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate.

Molecular Properties

Compound Namemethanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate
PubChem CID157421302
Molecular FormulaC8H20ClO8S2+
Molecular Weight343.83 g/mol
Exact Mass343.03
IUPAC Namemethanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate
SMILESCOCCO.COCCOS(C)(=O)=O.[CH2+]S(=O)(=O)Cl
InChIInChI=1S/C4H10O4S.C3H8O2.CH2ClO2S/c1-7-3-4-8-9(2,5)6;1-5-3-2-4;1-5(2,3)4/h3-4H2,1-2H3;4H,2-3H2,1H3;1H2/q;;+1
InChIKeyBPLAJNRWJSKAEB-UHFFFAOYSA-N
XLogP-0.42
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate?
The IUPAC name of methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate (CID 157421302) is methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate.
What is the SMILES notation for methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate?
The canonical SMILES for methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate is COCCO.COCCOS(C)(=O)=O.[CH2+]S(=O)(=O)Cl.
What is the InChIKey of methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate?
The InChIKey is BPLAJNRWJSKAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S.C3H8O2.CH2ClO2S/c1-7-3-4-8-9(2,5)6;1-5-3-2-4;1-5(2,3)4/h3-4H2,1-2H3;4H,2-3H2,1H3;1H2/q;;+1.
What are the key properties of methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate?
methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate has a molecular weight of 343.83 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonyl chloride;2-methoxyethanol;2-methoxyethyl methanesulfonate is sourced from PubChem (CID 157421302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).