5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C8H7NOS2 — CID 123191977

IUPAC5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CC(=C)C=C1SC(=S)NC1=O
InChIInChI=1S/C8H7NOS2/c1-3-5(2)4-6-7(10)9-8(11)12-6/h3-4H,1-2H2,(H,9,10,11)
InChIKeyFALKQPBPGUIBHY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.76
Rot. Bonds2

About 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 123191977) has the molecular formula C8H7NOS2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID123191977
Molecular FormulaC8H7NOS2
Molecular Weight197.28 g/mol
Exact Mass197.00
IUPAC Name5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CC(=C)C=C1SC(=S)NC1=O
InChIInChI=1S/C8H7NOS2/c1-3-5(2)4-6-7(10)9-8(11)12-6/h3-4H,1-2H2,(H,9,10,11)
InChIKeyFALKQPBPGUIBHY-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 59102002
CID 59102002
(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7326611
5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4571049
(5E)-5-[2-(2,5-dibromophenyl)-2-oxoethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23238181
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
5-[(3-hydroxy-5-methyl-1,2-dihydro-1,2,4-triazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 173225021
4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
CID 6993416
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1207359
(5E)-5-[(3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1275780
[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 1353629
(5E)-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2295863
(5E)-5-[[6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54603528

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 123191977) is 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is C=CC(=C)C=C1SC(=S)NC1=O.
What is the InChIKey of 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FALKQPBPGUIBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS2/c1-3-5(2)4-6-7(10)9-8(11)12-6/h3-4H,1-2H2,(H,9,10,11).
What are the key properties of 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 197.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylidenebut-3-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 123191977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).