hydroxymethanesulfonyl chloride

CH3ClO3S — CID 22415155

IUPAChydroxymethanesulfonyl chloride
SMILESO=S(=O)(Cl)CO
InChIInChI=1S/CH3ClO3S/c2-6(4,5)1-3/h3H,1H2
InChIKeyIZTBSMYMEBVIFU-UHFFFAOYSA-N
MW130.55 g/mol
LogP-0.50
Rot. Bonds1

About hydroxymethanesulfonyl chloride

hydroxymethanesulfonyl chloride (PubChem CID 22415155) has the molecular formula CH3ClO3S and a molecular weight of 130.55 g/mol. Its IUPAC name is hydroxymethanesulfonyl chloride.

Molecular Properties

Compound Namehydroxymethanesulfonyl chloride
PubChem CID22415155
Molecular FormulaCH3ClO3S
Molecular Weight130.55 g/mol
Exact Mass129.95
IUPAC Namehydroxymethanesulfonyl chloride
SMILESO=S(=O)(Cl)CO
InChIInChI=1S/CH3ClO3S/c2-6(4,5)1-3/h3H,1H2
InChIKeyIZTBSMYMEBVIFU-UHFFFAOYSA-N
XLogP-0.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.55
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydroxymethanesulfonyl chloride?
The IUPAC name of hydroxymethanesulfonyl chloride (CID 22415155) is hydroxymethanesulfonyl chloride.
What is the SMILES notation for hydroxymethanesulfonyl chloride?
The canonical SMILES for hydroxymethanesulfonyl chloride is O=S(=O)(Cl)CO.
What is the InChIKey of hydroxymethanesulfonyl chloride?
The InChIKey is IZTBSMYMEBVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClO3S/c2-6(4,5)1-3/h3H,1H2.
What are the key properties of hydroxymethanesulfonyl chloride?
hydroxymethanesulfonyl chloride has a molecular weight of 130.55 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanesulfonyl chloride is sourced from PubChem (CID 22415155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).