3-(6-methylheptyl)-1,3-thiazolidine-2-thione

C11H21NS2 — CID 21324741

IUPAC3-(6-methylheptyl)-1,3-thiazolidine-2-thione
SMILESCC(C)CCCCCN1CCSC1=S
InChIInChI=1S/C11H21NS2/c1-10(2)6-4-3-5-7-12-8-9-14-11(12)13/h10H,3-9H2,1-2H3
InChIKeyWEPRUFLFWQNJAP-UHFFFAOYSA-N
MW231.43 g/mol
LogP3.54
Rot. Bonds6

About 3-(6-methylheptyl)-1,3-thiazolidine-2-thione

3-(6-methylheptyl)-1,3-thiazolidine-2-thione (PubChem CID 21324741) has the molecular formula C11H21NS2 and a molecular weight of 231.43 g/mol. Its IUPAC name is 3-(6-methylheptyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(6-methylheptyl)-1,3-thiazolidine-2-thione
PubChem CID21324741
Molecular FormulaC11H21NS2
Molecular Weight231.43 g/mol
Exact Mass231.11
IUPAC Name3-(6-methylheptyl)-1,3-thiazolidine-2-thione
SMILESCC(C)CCCCCN1CCSC1=S
InChIInChI=1S/C11H21NS2/c1-10(2)6-4-3-5-7-12-8-9-14-11(12)13/h10H,3-9H2,1-2H3
InChIKeyWEPRUFLFWQNJAP-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 53.54
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-(6-methylheptyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(6-methylheptyl)-1,3-thiazolidine-2-thione (CID 21324741) is 3-(6-methylheptyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(6-methylheptyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(6-methylheptyl)-1,3-thiazolidine-2-thione is CC(C)CCCCCN1CCSC1=S.
What is the InChIKey of 3-(6-methylheptyl)-1,3-thiazolidine-2-thione?
The InChIKey is WEPRUFLFWQNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS2/c1-10(2)6-4-3-5-7-12-8-9-14-11(12)13/h10H,3-9H2,1-2H3.
What are the key properties of 3-(6-methylheptyl)-1,3-thiazolidine-2-thione?
3-(6-methylheptyl)-1,3-thiazolidine-2-thione has a molecular weight of 231.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).