[methylidene(propyl)-λ4-sulfanyl]formaldehyde

C5H10OS — CID 91605387

IUPAC[methylidene(propyl)-λ4-sulfanyl]formaldehyde
SMILESC=S(C=O)CCC
InChIInChI=1S/C5H10OS/c1-3-4-7(2)5-6/h5H,2-4H2,1H3
InChIKeyUKOBOTTXHOKRKK-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.29
Rot. Bonds3

About [methylidene(propyl)-λ4-sulfanyl]formaldehyde

[methylidene(propyl)-λ4-sulfanyl]formaldehyde (PubChem CID 91605387) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is [methylidene(propyl)-λ4-sulfanyl]formaldehyde.

Molecular Properties

Compound Name[methylidene(propyl)-λ4-sulfanyl]formaldehyde
PubChem CID91605387
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name[methylidene(propyl)-λ4-sulfanyl]formaldehyde
SMILESC=S(C=O)CCC
InChIInChI=1S/C5H10OS/c1-3-4-7(2)5-6/h5H,2-4H2,1H3
InChIKeyUKOBOTTXHOKRKK-UHFFFAOYSA-N
XLogP1.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

butane;oxaldehyde
CID 87585246
butan-2-one;methyl-methylidene-propyl-λ4-sulfane;propan-2-one
CID 158683509
azanylidyne-oxo-propyl-λ6-sulfane
CID 90138662
ethylsulfinylformaldehyde
CID 20503941
platinum(2+);bis(1-propylsulfinylpropane);dichloride
CID 3082519
butane;formaldehyde
CID 19870810
1-propylsulfinylbutane
CID 564183
1-propylsulfinyl-1-(1-propylsulfinylprop-1-enyldisulfanyl)prop-1-ene
CID 90904373
(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene
CID 6367006
butanal;dihydrate
CID 144519369
butanal;propane
CID 142417026
alumane;butanal
CID 175259224

Frequently Asked Questions

What is the IUPAC name of [methylidene(propyl)-λ4-sulfanyl]formaldehyde?
The IUPAC name of [methylidene(propyl)-λ4-sulfanyl]formaldehyde (CID 91605387) is [methylidene(propyl)-λ4-sulfanyl]formaldehyde.
What is the SMILES notation for [methylidene(propyl)-λ4-sulfanyl]formaldehyde?
The canonical SMILES for [methylidene(propyl)-λ4-sulfanyl]formaldehyde is C=S(C=O)CCC.
What is the InChIKey of [methylidene(propyl)-λ4-sulfanyl]formaldehyde?
The InChIKey is UKOBOTTXHOKRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-3-4-7(2)5-6/h5H,2-4H2,1H3.
What are the key properties of [methylidene(propyl)-λ4-sulfanyl]formaldehyde?
[methylidene(propyl)-λ4-sulfanyl]formaldehyde has a molecular weight of 118.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methylidene(propyl)-λ4-sulfanyl]formaldehyde is sourced from PubChem (CID 91605387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).