3-(5-methylhexyl)-1,3-thiazolidine-2-thione

C10H19NS2 — CID 88784785

IUPAC3-(5-methylhexyl)-1,3-thiazolidine-2-thione
SMILESCC(C)CCCCN1CCSC1=S
InChIInChI=1S/C10H19NS2/c1-9(2)5-3-4-6-11-7-8-13-10(11)12/h9H,3-8H2,1-2H3
InChIKeyCFRWONGGTTVKDO-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.15
Rot. Bonds5

About 3-(5-methylhexyl)-1,3-thiazolidine-2-thione

3-(5-methylhexyl)-1,3-thiazolidine-2-thione (PubChem CID 88784785) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 3-(5-methylhexyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(5-methylhexyl)-1,3-thiazolidine-2-thione
PubChem CID88784785
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name3-(5-methylhexyl)-1,3-thiazolidine-2-thione
SMILESCC(C)CCCCN1CCSC1=S
InChIInChI=1S/C10H19NS2/c1-9(2)5-3-4-6-11-7-8-13-10(11)12/h9H,3-8H2,1-2H3
InChIKeyCFRWONGGTTVKDO-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(5-methylhexyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(5-methylhexyl)-1,3-thiazolidine-2-thione (CID 88784785) is 3-(5-methylhexyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(5-methylhexyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(5-methylhexyl)-1,3-thiazolidine-2-thione is CC(C)CCCCN1CCSC1=S.
What is the InChIKey of 3-(5-methylhexyl)-1,3-thiazolidine-2-thione?
The InChIKey is CFRWONGGTTVKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-9(2)5-3-4-6-11-7-8-13-10(11)12/h9H,3-8H2,1-2H3.
What are the key properties of 3-(5-methylhexyl)-1,3-thiazolidine-2-thione?
3-(5-methylhexyl)-1,3-thiazolidine-2-thione has a molecular weight of 217.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 88784785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).