3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C16H24N2O2S4 — CID 14365445

IUPAC3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C16H24N2O2S4/c19-13-11-23-15(21)17(13)9-7-5-3-1-2-4-6-8-10-18-14(20)12-24-16(18)22/h1-12H2
InChIKeyFDTCTQZTWHUIRP-UHFFFAOYSA-N
MW404.65 g/mol
LogP3.83
Rot. Bonds11

About 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 14365445) has the molecular formula C16H24N2O2S4 and a molecular weight of 404.65 g/mol. Its IUPAC name is 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID14365445
Molecular FormulaC16H24N2O2S4
Molecular Weight404.65 g/mol
Exact Mass404.07
IUPAC Name3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1CCCCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C16H24N2O2S4/c19-13-11-23-15(21)17(13)9-7-5-3-1-2-4-6-8-10-18-14(20)12-24-16(18)22/h1-12H2
InChIKeyFDTCTQZTWHUIRP-UHFFFAOYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Rhodanine, 3,3'-hexamethylenedi-
CID 210685
2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis-
CID 4866772
3-Octyl-2-thioxo-1,3-thiazolidin-4-one
CID 13321106
3,3'-Butylenebis-rhodanine
CID 15354681
3,3'-Disulfanediylbis[1-(2-thioxothiazolidin-3-yl)propan-1-one]
CID 134817414
3-Decyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 13321107
3-Octadecyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14365259
1,8-Bis(2-sulfanylidene-1,3-thiazolidin-3-yl)octane-1,8-dione
CID 15499833
3-Dodecyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 24279589
(5E)-5-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58454877
(5Z)-3-ethyl-5-(3-octyl-4-oxo-1,3-thiazolidin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140830391
1-(2-Sulfanylidene-1,3-thiazolidin-3-yl)-8-(2-sulfanyl-1,3-thiazolidin-3-yl)octane-1,8-dione
CID 157498453

Frequently Asked Questions

What is the IUPAC name of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 14365445) is 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1CCCCCCCCCCN1C(=O)CSC1=S.
What is the InChIKey of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FDTCTQZTWHUIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S4/c19-13-11-23-15(21)17(13)9-7-5-3-1-2-4-6-8-10-18-14(20)12-24-16(18)22/h1-12H2.
What are the key properties of 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 404.65 g/mol, XLogP of 3.83, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)decyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 14365445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).