4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione

C10H7F2NS2 — CID 82362773

IUPAC4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione
SMILESCc1sc(=S)[nH]c1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2NS2/c1-5-9(13-10(14)15-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H,13,14)
InChIKeyJEOIRPZEIDSWJQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP4.06
Rot. Bonds1

About 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione

4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione (PubChem CID 82362773) has the molecular formula C10H7F2NS2 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione
PubChem CID82362773
Molecular FormulaC10H7F2NS2
Molecular Weight243.30 g/mol
Exact Mass243.00
IUPAC Name4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione
SMILESCc1sc(=S)[nH]c1-c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2NS2/c1-5-9(13-10(14)15-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H,13,14)
InChIKeyJEOIRPZEIDSWJQ-UHFFFAOYSA-N
XLogP4.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 54.06
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-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione (CID 82362773) is 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione is Cc1sc(=S)[nH]c1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The InChIKey is JEOIRPZEIDSWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS2/c1-5-9(13-10(14)15-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H,13,14).
What are the key properties of 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione has a molecular weight of 243.30 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82362773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).