ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane

C3H9OPS — CID 12608714

IUPACethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCP(C)(O)=S
InChIInChI=1S/C3H9OPS/c1-3-5(2,4)6/h3H2,1-2H3,(H,4,6)
InChIKeyPLNBVLZMAWFQRW-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.02
Rot. Bonds1

About ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane

ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 12608714) has the molecular formula C3H9OPS and a molecular weight of 124.14 g/mol. Its IUPAC name is ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID12608714
Molecular FormulaC3H9OPS
Molecular Weight124.14 g/mol
Exact Mass124.01
IUPAC Nameethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCCP(C)(O)=S
InChIInChI=1S/C3H9OPS/c1-3-5(2,4)6/h3H2,1-2H3,(H,4,6)
InChIKeyPLNBVLZMAWFQRW-UHFFFAOYSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
dihydroxy-methyl-methylidene-λ5-phosphane
CID 18339287
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
diethylphosphinothioyl-dimethyl-sulfanylidene-λ5-phosphane
CID 132548484
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane
CID 87476601
diethylphosphinic acid
CID 123698390

Frequently Asked Questions

What is the IUPAC name of ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane (CID 12608714) is ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane is CCP(C)(O)=S.
What is the InChIKey of ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is PLNBVLZMAWFQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9OPS/c1-3-5(2,4)6/h3H2,1-2H3,(H,4,6).
What are the key properties of ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 124.14 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12608714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).