3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one

C10H17NOS2 — CID 3812354

IUPAC3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C10H17NOS2/c1-2-3-4-5-6-7-11-9(12)8-14-10(11)13/h2-8H2,1H3
InChIKeyRVEZMHNHYRWSBL-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.82
Rot. Bonds6

About 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one

3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3812354) has the molecular formula C10H17NOS2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3812354
Molecular FormulaC10H17NOS2
Molecular Weight231.39 g/mol
Exact Mass231.08
IUPAC Name3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCCCN1C(=O)CSC1=S
InChIInChI=1S/C10H17NOS2/c1-2-3-4-5-6-7-11-9(12)8-14-10(11)13/h2-8H2,1H3
InChIKeyRVEZMHNHYRWSBL-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3812354) is 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one is CCCCCCCN1C(=O)CSC1=S.
What is the InChIKey of 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RVEZMHNHYRWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS2/c1-2-3-4-5-6-7-11-9(12)8-14-10(11)13/h2-8H2,1H3.
What are the key properties of 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one?
3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 231.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3812354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).