[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione

C16H15F2NOS3 — CID 1084831

IUPAC[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione
SMILESFC(F)Sc1ccc(-c2ccc(C(=S)N3CCOCC3)s2)cc1
InChIInChI=1S/C16H15F2NOS3/c17-16(18)22-12-3-1-11(2-4-12)13-5-6-14(23-13)15(21)19-7-9-20-10-8-19/h1-6,16H,7-10H2
InChIKeyRBLKPBFPSRDGOY-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.74
Rot. Bonds4

About [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione

[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione (PubChem CID 1084831) has the molecular formula C16H15F2NOS3 and a molecular weight of 371.50 g/mol. Its IUPAC name is [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione
PubChem CID1084831
Molecular FormulaC16H15F2NOS3
Molecular Weight371.50 g/mol
Exact Mass371.03
IUPAC Name[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione
SMILESFC(F)Sc1ccc(-c2ccc(C(=S)N3CCOCC3)s2)cc1
InChIInChI=1S/C16H15F2NOS3/c17-16(18)22-12-3-1-11(2-4-12)13-5-6-14(23-13)15(21)19-7-9-20-10-8-19/h1-6,16H,7-10H2
InChIKeyRBLKPBFPSRDGOY-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione?
The IUPAC name of [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione (CID 1084831) is [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione.
What is the SMILES notation for [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione?
The canonical SMILES for [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione is FC(F)Sc1ccc(-c2ccc(C(=S)N3CCOCC3)s2)cc1.
What is the InChIKey of [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione?
The InChIKey is RBLKPBFPSRDGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS3/c17-16(18)22-12-3-1-11(2-4-12)13-5-6-14(23-13)15(21)19-7-9-20-10-8-19/h1-6,16H,7-10H2.
What are the key properties of [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione?
[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione has a molecular weight of 371.50 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-morpholin-4-ylmethanethione is sourced from PubChem (CID 1084831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).