4-ethyl-5-propyl-3H-1,3-thiazole-2-thione

C8H13NS2 — CID 71329245

IUPAC4-ethyl-5-propyl-3H-1,3-thiazole-2-thione
SMILESCCCc1sc(=S)[nH]c1CC
InChIInChI=1S/C8H13NS2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-5H2,1-2H3,(H,9,10)
InChIKeyVRMCTLYCXUEJBK-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.32
Rot. Bonds3

About 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione

4-ethyl-5-propyl-3H-1,3-thiazole-2-thione (PubChem CID 71329245) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-ethyl-5-propyl-3H-1,3-thiazole-2-thione
PubChem CID71329245
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name4-ethyl-5-propyl-3H-1,3-thiazole-2-thione
SMILESCCCc1sc(=S)[nH]c1CC
InChIInChI=1S/C8H13NS2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-5H2,1-2H3,(H,9,10)
InChIKeyVRMCTLYCXUEJBK-UHFFFAOYSA-N
XLogP3.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
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 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione (CID 71329245) is 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione is CCCc1sc(=S)[nH]c1CC.
What is the InChIKey of 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione?
The InChIKey is VRMCTLYCXUEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-3-5-7-6(4-2)9-8(10)11-7/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione?
4-ethyl-5-propyl-3H-1,3-thiazole-2-thione has a molecular weight of 187.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 71329245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).