1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione

C11H14N2O2S4 — CID 15499832

IUPAC1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCSC1=S)N1CCSC1=S
InChIInChI=1S/C11H14N2O2S4/c14-8(12-4-6-18-10(12)16)2-1-3-9(15)13-5-7-19-11(13)17/h1-7H2
InChIKeyRCNUBRRGKNQIMQ-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.88
Rot. Bonds4

About 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione

1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione (PubChem CID 15499832) has the molecular formula C11H14N2O2S4 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione
PubChem CID15499832
Molecular FormulaC11H14N2O2S4
Molecular Weight334.51 g/mol
Exact Mass333.99
IUPAC Name1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCSC1=S)N1CCSC1=S
InChIInChI=1S/C11H14N2O2S4/c14-8(12-4-6-18-10(12)16)2-1-3-9(15)13-5-7-19-11(13)17/h1-7H2
InChIKeyRCNUBRRGKNQIMQ-UHFFFAOYSA-N
XLogP1.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Rhodanine, 3,3'-hexamethylenedi-
CID 210685
Bas 00531484
CID 262963
2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis-
CID 4866772
3,3'-Butylenebis-rhodanine
CID 15354681
3,3'-Disulfanediylbis[1-(2-thioxothiazolidin-3-yl)propan-1-one]
CID 134817414
1,8-Bis(2-sulfanylidene-1,3-thiazolidin-3-yl)octane-1,8-dione
CID 15499833
(5R)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6993308
(5R)-3-ethyl-5-[(5R)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6993309
(5S)-3-ethyl-5-[(5S)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6993310
1,10-Bis(2-sulfanylidene-1,3-thiazolidin-3-yl)decane-1,10-dione
CID 10001296
1,12-Bis(2-sulfanylidene-1,3-thiazolidin-3-yl)dodecane-1,12-dione
CID 10048459
1,4-Bis(2-sulfanylidene-1,3-thiazolidin-3-yl)butane-1,4-dione
CID 12581067

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione (CID 15499832) is 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione is O=C(CCCC(=O)N1CCSC1=S)N1CCSC1=S.
What is the InChIKey of 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione?
The InChIKey is RCNUBRRGKNQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S4/c14-8(12-4-6-18-10(12)16)2-1-3-9(15)13-5-7-19-11(13)17/h1-7H2.
What are the key properties of 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione?
1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione has a molecular weight of 334.51 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)pentane-1,5-dione is sourced from PubChem (CID 15499832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).