sodium;sulfurothioic O-acid;tetradecane

C14H31NaO3S2 — CID 174431751

IUPACsodium;sulfurothioic O-acid;tetradecane
SMILESO=S(O)(O)=S.[CH2-]CCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C14H29.Na.H2O3S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-14H2,2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyJPEIKHCFQKMOCS-UHFFFAOYSA-N
MW334.52 g/mol
LogP2.20
Rot. Bonds11

About sodium;sulfurothioic O-acid;tetradecane

sodium;sulfurothioic O-acid;tetradecane (PubChem CID 174431751) has the molecular formula C14H31NaO3S2 and a molecular weight of 334.52 g/mol. Its IUPAC name is sodium;sulfurothioic O-acid;tetradecane.

Molecular Properties

Compound Namesodium;sulfurothioic O-acid;tetradecane
PubChem CID174431751
Molecular FormulaC14H31NaO3S2
Molecular Weight334.52 g/mol
Exact Mass334.16
IUPAC Namesodium;sulfurothioic O-acid;tetradecane
SMILESO=S(O)(O)=S.[CH2-]CCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C14H29.Na.H2O3S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-14H2,2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyJPEIKHCFQKMOCS-UHFFFAOYSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;dodecane;ethene;sulfuric acid
CID 158930988
potassium;hexadecane;sulfuric acid
CID 159048192
sodium;dodecane;propane-1-sulfonic acid
CID 175857379
lithium tridecane
CID 11321439
sodium tritriacontane
CID 150964196
lithium heptadecane
CID 12950399
sodium;dodecane;2-hydroxyethanesulfonic acid
CID 174297331
sodium;azane;dodecane;1-dodecoxydodecane;sulfuric acid
CID 173144318
sodium;sulfuric acid;tetradecane
CID 170922474
sodium;octane;hydrate
CID 172770600
lithium;copper(1+);bis(decane)
CID 10937095
heptadecane
CID 156905849

Frequently Asked Questions

What is the IUPAC name of sodium;sulfurothioic O-acid;tetradecane?
The IUPAC name of sodium;sulfurothioic O-acid;tetradecane (CID 174431751) is sodium;sulfurothioic O-acid;tetradecane.
What is the SMILES notation for sodium;sulfurothioic O-acid;tetradecane?
The canonical SMILES for sodium;sulfurothioic O-acid;tetradecane is O=S(O)(O)=S.[CH2-]CCCCCCCCCCCCC.[Na+].
What is the InChIKey of sodium;sulfurothioic O-acid;tetradecane?
The InChIKey is JPEIKHCFQKMOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29.Na.H2O3S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;;1-5(2,3)4/h1,3-14H2,2H3;;(H2,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;sulfurothioic O-acid;tetradecane?
sodium;sulfurothioic O-acid;tetradecane has a molecular weight of 334.52 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfurothioic O-acid;tetradecane is sourced from PubChem (CID 174431751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).