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

C6H9NS2 — CID 10877412

IUPAC4-ethyl-5-methyl-3H-1,3-thiazole-2-thione
SMILESCCc1[nH]c(=S)sc1C
InChIInChI=1S/C6H9NS2/c1-3-5-4(2)9-6(8)7-5/h3H2,1-2H3,(H,7,8)
InChIKeyMOZAVBNQQPUPNA-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.68
Rot. Bonds1

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

4-ethyl-5-methyl-3H-1,3-thiazole-2-thione (PubChem CID 10877412) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-ethyl-5-methyl-3H-1,3-thiazole-2-thione
PubChem CID10877412
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name4-ethyl-5-methyl-3H-1,3-thiazole-2-thione
SMILESCCc1[nH]c(=S)sc1C
InChIInChI=1S/C6H9NS2/c1-3-5-4(2)9-6(8)7-5/h3H2,1-2H3,(H,7,8)
InChIKeyMOZAVBNQQPUPNA-UHFFFAOYSA-N
XLogP2.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.68
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-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
4,5-diethyl-3H-1,3-thiazole-2-thione
CID 19892462
2(3H)-Thiazolethione, 5-methyl-4-(1-methylethyl)-
CID 21567308
4,5-di(propan-2-yl)-3H-1,3-thiazole-2-thione
CID 57797685
4-Ethyl-5-propyl-1,3-thiazole-2(3H)-thione
CID 71329245
5-ethyl-4-propan-2-yl-3H-1,3-thiazole-2-thione
CID 130432027
4,5-dimethyl-3H-1,3-thiazole-2-thione;ethane
CID 143138004
4-ethyl-5-propan-2-yl-3H-1,3-thiazole-2-thione
CID 147960160
5-ethyl-4-propyl-3H-1,3-thiazole-2-thione
CID 64309544

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione (CID 10877412) is 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione is CCc1[nH]c(=S)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione?
The InChIKey is MOZAVBNQQPUPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-3-5-4(2)9-6(8)7-5/h3H2,1-2H3,(H,7,8).
What are the key properties of 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione?
4-ethyl-5-methyl-3H-1,3-thiazole-2-thione has a molecular weight of 159.28 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 10877412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).