3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione

C8H13NS2 — CID 21060356

IUPAC3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione
SMILESCC(C)(C)Cn1ccsc1=S
InChIInChI=1S/C8H13NS2/c1-8(2,3)6-9-4-5-11-7(9)10/h4-5H,6H2,1-3H3
InChIKeyLUJOVZOWJXLACH-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.33
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione

3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione (PubChem CID 21060356) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione
PubChem CID21060356
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione
SMILESCC(C)(C)Cn1ccsc1=S
InChIInChI=1S/C8H13NS2/c1-8(2,3)6-9-4-5-11-7(9)10/h4-5H,6H2,1-3H3
InChIKeyLUJOVZOWJXLACH-UHFFFAOYSA-N
XLogP3.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,2-dimethylpropyl)-1,3-thiazole-2-thione?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione (CID 21060356) is 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione is CC(C)(C)Cn1ccsc1=S.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione?
The InChIKey is LUJOVZOWJXLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-8(2,3)6-9-4-5-11-7(9)10/h4-5H,6H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione?
3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione has a molecular weight of 187.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 21060356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).