1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one

C9H15NOS2 — CID 12675044

IUPAC1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCSC1=S
InChIInChI=1S/C9H15NOS2/c1-2-3-4-5-8(11)10-6-7-13-9(10)12/h2-7H2,1H3
InChIKeyFKSYDEOSCLGMTL-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one

1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one (PubChem CID 12675044) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one.

Molecular Properties

Compound Name1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one
PubChem CID12675044
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one
SMILESCCCCCC(=O)N1CCSC1=S
InChIInChI=1S/C9H15NOS2/c1-2-3-4-5-8(11)10-6-7-13-9(10)12/h2-7H2,1H3
InChIKeyFKSYDEOSCLGMTL-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis-
CID 4866772
2-Thiazolidinethione, 3-(1-oxohexadecyl)-
CID 10021262
3-Octyl-2-thioxo-1,3-thiazolidin-4-one
CID 13321106
3-Pentanoyl-1,3-thiazolidin-2-one
CID 59816498
2-Thiazolidinethione, 3-(1-oxooctyl)-
CID 10868564
ethyl N-butyl-N-hexanoylcarbamodithioate
CID 44550744
1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate
CID 102442170
1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate
CID 102442172
1-(2-Oxopyrrolidin-1-yl)ethyl azepane-1-carbodithioate
CID 102442176
6-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoate
CID 1565806
3-Heptyl-2-thioxo-1,3-thiazolidin-4-one
CID 3812354
2-Thiazolidinethione, 3-(1-oxooctadecyl)-
CID 9977400

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
The IUPAC name of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one (CID 12675044) is 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one.
What is the SMILES notation for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
The canonical SMILES for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one is CCCCCC(=O)N1CCSC1=S.
What is the InChIKey of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
The InChIKey is FKSYDEOSCLGMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-2-3-4-5-8(11)10-6-7-13-9(10)12/h2-7H2,1H3.
What are the key properties of 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one?
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one has a molecular weight of 217.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)hexan-1-one is sourced from PubChem (CID 12675044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).