hydroxymethanone;tripropylsulfanium

C10H22O2S — CID 88584764

IUPAChydroxymethanone;tripropylsulfanium
SMILESCCC[S+](CCC)CCC.O=[C-]O
InChIInChI=1S/C9H21S.CHO2/c1-4-7-10(8-5-2)9-6-3;2-1-3/h4-9H2,1-3H3;(H,2,3)/q+1;-1
InChIKeyUWVLCNXKDROQNE-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.45
Rot. Bonds6

About hydroxymethanone;tripropylsulfanium

hydroxymethanone;tripropylsulfanium (PubChem CID 88584764) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is hydroxymethanone;tripropylsulfanium.

Molecular Properties

Compound Namehydroxymethanone;tripropylsulfanium
PubChem CID88584764
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Namehydroxymethanone;tripropylsulfanium
SMILESCCC[S+](CCC)CCC.O=[C-]O
InChIInChI=1S/C9H21S.CHO2/c1-4-7-10(8-5-2)9-6-3;2-1-3/h4-9H2,1-3H3;(H,2,3)/q+1;-1
InChIKeyUWVLCNXKDROQNE-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-oxoacetate;tripropylsulfanium
CID 173028379
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CID 174420136
sodium;hydroxymethanone;phosphane
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Frequently Asked Questions

What is the IUPAC name of hydroxymethanone;tripropylsulfanium?
The IUPAC name of hydroxymethanone;tripropylsulfanium (CID 88584764) is hydroxymethanone;tripropylsulfanium.
What is the SMILES notation for hydroxymethanone;tripropylsulfanium?
The canonical SMILES for hydroxymethanone;tripropylsulfanium is CCC[S+](CCC)CCC.O=[C-]O.
What is the InChIKey of hydroxymethanone;tripropylsulfanium?
The InChIKey is UWVLCNXKDROQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21S.CHO2/c1-4-7-10(8-5-2)9-6-3;2-1-3/h4-9H2,1-3H3;(H,2,3)/q+1;-1.
What are the key properties of hydroxymethanone;tripropylsulfanium?
hydroxymethanone;tripropylsulfanium has a molecular weight of 206.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanone;tripropylsulfanium is sourced from PubChem (CID 88584764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).