CID 88628598

C4H6NaOS — CID 88628598

IUPAC—
SMILESC=CS(=O)C=C.[Na]
InChIInChI=1S/C4H6OS.Na/c1-3-6(5)4-2;/h3-4H,1-2H2;
InChIKeyATQFXXUZGYLKSF-UHFFFAOYSA-N
MW125.15 g/mol
LogP0.64
Rot. Bonds2

About CID 88628598

CID 88628598 (PubChem CID 88628598) has the molecular formula C4H6NaOS and a molecular weight of 125.15 g/mol.

Molecular Properties

Compound NameCID 88628598
PubChem CID88628598
Molecular FormulaC4H6NaOS
Molecular Weight125.15 g/mol
Exact Mass125.00
IUPAC Name—
SMILESC=CS(=O)C=C.[Na]
InChIInChI=1S/C4H6OS.Na/c1-3-6(5)4-2;/h3-4H,1-2H2;
InChIKeyATQFXXUZGYLKSF-UHFFFAOYSA-N
XLogP0.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethenesulfinate;methane
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ethenesulfinate;prop-2-enoic acid
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(sulfinoamino)ethene
CID 19593362
3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide
CID 88846082
CID 175223737
CID 175223737
8-ethenylsulfinyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 118585099
3-chloro-3-(1-chloroprop-2-enylsulfinyl)prop-1-ene
CID 87891459
chlorosulfinyloxyethene
CID 170554483

Frequently Asked Questions

What is the IUPAC name of CID 88628598?
The IUPAC name of CID 88628598 (CID 88628598) is not available.
What is the SMILES notation for CID 88628598?
The canonical SMILES for CID 88628598 is C=CS(=O)C=C.[Na].
What is the InChIKey of CID 88628598?
The InChIKey is ATQFXXUZGYLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS.Na/c1-3-6(5)4-2;/h3-4H,1-2H2;.
What are the key properties of CID 88628598?
CID 88628598 has a molecular weight of 125.15 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88628598 is sourced from PubChem (CID 88628598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).