1,3-dithiolan-2-ylidene(ethoxy)methanol

C6H10O2S2 — CID 13461147

IUPAC1,3-dithiolan-2-ylidene(ethoxy)methanol
SMILESCCOC(O)=C1SCCS1
InChIInChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h7H,2-4H2,1H3
InChIKeyAPZNICYWHTWPIS-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.19
Rot. Bonds2

About 1,3-dithiolan-2-ylidene(ethoxy)methanol

1,3-dithiolan-2-ylidene(ethoxy)methanol (PubChem CID 13461147) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,3-dithiolan-2-ylidene(ethoxy)methanol.

Molecular Properties

Compound Name1,3-dithiolan-2-ylidene(ethoxy)methanol
PubChem CID13461147
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name1,3-dithiolan-2-ylidene(ethoxy)methanol
SMILESCCOC(O)=C1SCCS1
InChIInChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h7H,2-4H2,1H3
InChIKeyAPZNICYWHTWPIS-UHFFFAOYSA-N
XLogP2.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1,3-dithiolan-2-ylidene)-2-isocyanoacetate
CID 22943127
ethyl 2-(1,3-dithiolan-2-ylidene)-3-(2-fluorophenyl)-3-oxopropanoate
CID 135002640
ethyl N-[1-(1,3-dithian-2-ylidene)ethyl]carbamate
CID 14202437
ethyl 4-[[1,3-dithian-2-ylidene(phenyl)methyl]diazenyl]benzoate
CID 73427288
6-ethoxycarbonylsulfanyl-2,3-dihydro-1,4-dithiine-5-thiolate
CID 100920952
diethyl 2-(4-hydroxy-1,3-dithiolan-2-ylidene)propanedioate
CID 12801576
ethyl 5-methyl-2,3-dihydrothiophene-4-carboxylate
CID 10419641
ethoxy-[2,3,4,5-tetrakis(trifluoromethyl)cyclopenta-2,4-dien-1-ylidene]methanol
CID 5246928
ethyl (2Z)-2-(thiolan-2-ylidene)acetate
CID 14960020
ethyl (2Z)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4,4-dimethyl-3-oxopentanoate
CID 20617953
carbon monoxide;[ethoxy(phenyl)methylidene]chromium
CID 11369238
ethyl (2S)-3-oxothiane-2-carboxylate
CID 86316924

Frequently Asked Questions

What is the IUPAC name of 1,3-dithiolan-2-ylidene(ethoxy)methanol?
The IUPAC name of 1,3-dithiolan-2-ylidene(ethoxy)methanol (CID 13461147) is 1,3-dithiolan-2-ylidene(ethoxy)methanol.
What is the SMILES notation for 1,3-dithiolan-2-ylidene(ethoxy)methanol?
The canonical SMILES for 1,3-dithiolan-2-ylidene(ethoxy)methanol is CCOC(O)=C1SCCS1.
What is the InChIKey of 1,3-dithiolan-2-ylidene(ethoxy)methanol?
The InChIKey is APZNICYWHTWPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h7H,2-4H2,1H3.
What are the key properties of 1,3-dithiolan-2-ylidene(ethoxy)methanol?
1,3-dithiolan-2-ylidene(ethoxy)methanol has a molecular weight of 178.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiolan-2-ylidene(ethoxy)methanol is sourced from PubChem (CID 13461147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).