CID 170307340

C4H10NaO5S — CID 170307340

IUPAC—
SMILESCCCC(O)(O)S(=O)(=O)O.[Na]
InChIInChI=1S/C4H10O5S.Na/c1-2-3-4(5,6)10(7,8)9;/h5-6H,2-3H2,1H3,(H,7,8,9);
InChIKeyVYTMKOYZNFVRLE-UHFFFAOYSA-N
MW193.18 g/mol
LogP-1.07
Rot. Bonds3

About CID 170307340

CID 170307340 (PubChem CID 170307340) has the molecular formula C4H10NaO5S and a molecular weight of 193.18 g/mol.

Molecular Properties

Compound NameCID 170307340
PubChem CID170307340
Molecular FormulaC4H10NaO5S
Molecular Weight193.18 g/mol
Exact Mass193.01
IUPAC Name—
SMILESCCCC(O)(O)S(=O)(=O)O.[Na]
InChIInChI=1S/C4H10O5S.Na/c1-2-3-4(5,6)10(7,8)9;/h5-6H,2-3H2,1H3,(H,7,8,9);
InChIKeyVYTMKOYZNFVRLE-UHFFFAOYSA-N
XLogP-1.07
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 91619632
azane;2-methylheptan-2-ol;trifluoromethanesulfonic acid
CID 174876443
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butane;sulfuric acid;zinc
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Frequently Asked Questions

What is the IUPAC name of CID 170307340?
The IUPAC name of CID 170307340 (CID 170307340) is not available.
What is the SMILES notation for CID 170307340?
The canonical SMILES for CID 170307340 is CCCC(O)(O)S(=O)(=O)O.[Na].
What is the InChIKey of CID 170307340?
The InChIKey is VYTMKOYZNFVRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S.Na/c1-2-3-4(5,6)10(7,8)9;/h5-6H,2-3H2,1H3,(H,7,8,9);.
What are the key properties of CID 170307340?
CID 170307340 has a molecular weight of 193.18 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170307340 is sourced from PubChem (CID 170307340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).