[formyl(diphenyl)-λ4-sulfanyl]formaldehyde

C14H12O2S — CID 175527425

IUPAC[formyl(diphenyl)-λ4-sulfanyl]formaldehyde
SMILESO=CS(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2S/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyOAMGSPATQBBXKR-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.29
Rot. Bonds4

About [formyl(diphenyl)-λ4-sulfanyl]formaldehyde

[formyl(diphenyl)-λ4-sulfanyl]formaldehyde (PubChem CID 175527425) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is [formyl(diphenyl)-λ4-sulfanyl]formaldehyde.

Molecular Properties

Compound Name[formyl(diphenyl)-λ4-sulfanyl]formaldehyde
PubChem CID175527425
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name[formyl(diphenyl)-λ4-sulfanyl]formaldehyde
SMILESO=CS(C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O2S/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyOAMGSPATQBBXKR-UHFFFAOYSA-N
XLogP3.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfone
CID 31386
Diphenyl sulfide
CID 8766
Diphenyl sulfoxide
CID 13679
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Ethanethioic acid, S-phenyl ester
CID 13630
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
S-Allylthiobenzene
CID 79180
S,S-Diphenylsulfilimine
CID 608422
S,S-Diphenylsulfilimine Monohydrate
CID 11435938
1-S,2-S-diphenyl ethanebis(thioate)
CID 18471933
4-Fluoro diphenyl sulfide
CID 11458368
1-Fluoro-2-(phenylsulfanyl)benzene
CID 13410318

Frequently Asked Questions

What is the IUPAC name of [formyl(diphenyl)-λ4-sulfanyl]formaldehyde?
The IUPAC name of [formyl(diphenyl)-λ4-sulfanyl]formaldehyde (CID 175527425) is [formyl(diphenyl)-λ4-sulfanyl]formaldehyde.
What is the SMILES notation for [formyl(diphenyl)-λ4-sulfanyl]formaldehyde?
The canonical SMILES for [formyl(diphenyl)-λ4-sulfanyl]formaldehyde is O=CS(C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [formyl(diphenyl)-λ4-sulfanyl]formaldehyde?
The InChIKey is OAMGSPATQBBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-11-17(12-16,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of [formyl(diphenyl)-λ4-sulfanyl]formaldehyde?
[formyl(diphenyl)-λ4-sulfanyl]formaldehyde has a molecular weight of 244.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl(diphenyl)-λ4-sulfanyl]formaldehyde is sourced from PubChem (CID 175527425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).