4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione

C5H7F2NS2 — CID 146326076

IUPAC4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1C(F)F
InChIInChI=1S/C5H7F2NS2/c1-8-3(4(6)7)2-10-5(8)9/h3-4H,2H2,1H3
InChIKeyDHDJNWWWQKGREH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds1

About 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione

4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione (PubChem CID 146326076) has the molecular formula C5H7F2NS2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione
PubChem CID146326076
Molecular FormulaC5H7F2NS2
Molecular Weight183.25 g/mol
Exact Mass183.00
IUPAC Name4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1C(F)F
InChIInChI=1S/C5H7F2NS2/c1-8-3(4(6)7)2-10-5(8)9/h3-4H,2H2,1H3
InChIKeyDHDJNWWWQKGREH-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
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-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione (CID 146326076) is 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione is CN1C(=S)SCC1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione?
The InChIKey is DHDJNWWWQKGREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NS2/c1-8-3(4(6)7)2-10-5(8)9/h3-4H,2H2,1H3.
What are the key properties of 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione?
4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione has a molecular weight of 183.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 146326076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).