4,5-dipropyl-3H-1,3-thiazole-2-thione

C9H15NS2 — CID 19892458

IUPAC4,5-dipropyl-3H-1,3-thiazole-2-thione
SMILESCCCc1[nH]c(=S)sc1CCC
InChIInChI=1S/C9H15NS2/c1-3-5-7-8(6-4-2)12-9(11)10-7/h3-6H2,1-2H3,(H,10,11)
InChIKeyZRFUXVMYMJSQBS-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.71
Rot. Bonds4

About 4,5-dipropyl-3H-1,3-thiazole-2-thione

4,5-dipropyl-3H-1,3-thiazole-2-thione (PubChem CID 19892458) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 4,5-dipropyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4,5-dipropyl-3H-1,3-thiazole-2-thione
PubChem CID19892458
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name4,5-dipropyl-3H-1,3-thiazole-2-thione
SMILESCCCc1[nH]c(=S)sc1CCC
InChIInChI=1S/C9H15NS2/c1-3-5-7-8(6-4-2)12-9(11)10-7/h3-6H2,1-2H3,(H,10,11)
InChIKeyZRFUXVMYMJSQBS-UHFFFAOYSA-N
XLogP3.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.71
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 4,5-dipropyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4,5-dipropyl-3H-1,3-thiazole-2-thione (CID 19892458) is 4,5-dipropyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4,5-dipropyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4,5-dipropyl-3H-1,3-thiazole-2-thione is CCCc1[nH]c(=S)sc1CCC.
What is the InChIKey of 4,5-dipropyl-3H-1,3-thiazole-2-thione?
The InChIKey is ZRFUXVMYMJSQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-3-5-7-8(6-4-2)12-9(11)10-7/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 4,5-dipropyl-3H-1,3-thiazole-2-thione?
4,5-dipropyl-3H-1,3-thiazole-2-thione has a molecular weight of 201.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 19892458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).