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

C7H11NS2 — CID 19892462

IUPAC4,5-diethyl-3H-1,3-thiazole-2-thione
SMILESCCc1[nH]c(=S)sc1CC
InChIInChI=1S/C7H11NS2/c1-3-5-6(4-2)10-7(9)8-5/h3-4H2,1-2H3,(H,8,9)
InChIKeyCFHLPYGPURTAMI-UHFFFAOYSA-N
MW173.31 g/mol
LogP2.93
Rot. Bonds2

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

4,5-diethyl-3H-1,3-thiazole-2-thione (PubChem CID 19892462) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is 4,5-diethyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4,5-diethyl-3H-1,3-thiazole-2-thione
PubChem CID19892462
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name4,5-diethyl-3H-1,3-thiazole-2-thione
SMILESCCc1[nH]c(=S)sc1CC
InChIInChI=1S/C7H11NS2/c1-3-5-6(4-2)10-7(9)8-5/h3-4H2,1-2H3,(H,8,9)
InChIKeyCFHLPYGPURTAMI-UHFFFAOYSA-N
XLogP2.93
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-4-methyl-2,3-dihydro-1,3-thiazole-2-thione
CID 16740159
4-Ethyl-5-methyl-1,3-thiazole-2-thiol
CID 10877412
4-methyl-5-propan-2-yl-3H-1,3-thiazole-2-thione
CID 3729200
4,5-ditert-butyl-3H-1,3-thiazole-2-thione
CID 12422326
4,5-dipropyl-3H-1,3-thiazole-2-thione
CID 19892458
2(3H)-Thiazolethione, 5-methyl-4-(1-methylethyl)-
CID 21567308
4,5-dibutyl-3H-1,3-thiazole-2-thione
CID 23002445
4,5-di(propan-2-yl)-3H-1,3-thiazole-2-thione
CID 57797685
4,5-bis(prop-2-enyl)-3H-1,3-thiazole-2-thione
CID 66692830
4-Ethyl-5-propyl-1,3-thiazole-2(3H)-thione
CID 71329245
5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione
CID 90730762
5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione
CID 130432027

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4,5-diethyl-3H-1,3-thiazole-2-thione (CID 19892462) is 4,5-diethyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4,5-diethyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4,5-diethyl-3H-1,3-thiazole-2-thione is CCc1[nH]c(=S)sc1CC.
What is the InChIKey of 4,5-diethyl-3H-1,3-thiazole-2-thione?
The InChIKey is CFHLPYGPURTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2/c1-3-5-6(4-2)10-7(9)8-5/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 4,5-diethyl-3H-1,3-thiazole-2-thione?
4,5-diethyl-3H-1,3-thiazole-2-thione has a molecular weight of 173.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 19892462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).