3-tert-butyl-1,3-thiazolidine-2-thione

C7H13NS2 — CID 20572286

IUPAC3-tert-butyl-1,3-thiazolidine-2-thione
SMILESCC(C)(C)N1CCSC1=S
InChIInChI=1S/C7H13NS2/c1-7(2,3)8-4-5-10-6(8)9/h4-5H2,1-3H3
InChIKeyCZOAMHPYQUTQFA-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.12
Rot. Bonds

About 3-tert-butyl-1,3-thiazolidine-2-thione

3-tert-butyl-1,3-thiazolidine-2-thione (PubChem CID 20572286) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is 3-tert-butyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-tert-butyl-1,3-thiazolidine-2-thione
PubChem CID20572286
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name3-tert-butyl-1,3-thiazolidine-2-thione
SMILESCC(C)(C)N1CCSC1=S
InChIInChI=1S/C7H13NS2/c1-7(2,3)8-4-5-10-6(8)9/h4-5H2,1-3H3
InChIKeyCZOAMHPYQUTQFA-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3-tert-butyl-1,3-thiazolidine-2-thione (CID 20572286) is 3-tert-butyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-tert-butyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-tert-butyl-1,3-thiazolidine-2-thione is CC(C)(C)N1CCSC1=S.
What is the InChIKey of 3-tert-butyl-1,3-thiazolidine-2-thione?
The InChIKey is CZOAMHPYQUTQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2/c1-7(2,3)8-4-5-10-6(8)9/h4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-1,3-thiazolidine-2-thione?
3-tert-butyl-1,3-thiazolidine-2-thione has a molecular weight of 175.32 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 20572286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).