(4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate

C14H11F2NS2 — CID 4213909

IUPAC(4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate
SMILESFc1ccc(CSC(=S)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11F2NS2/c15-11-3-1-10(2-4-11)9-19-14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyIDENYHKRFISLHI-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.59
Rot. Bonds3

About (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate

(4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate (PubChem CID 4213909) has the molecular formula C14H11F2NS2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate
PubChem CID4213909
Molecular FormulaC14H11F2NS2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Name(4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate
SMILESFc1ccc(CSC(=S)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11F2NS2/c15-11-3-1-10(2-4-11)9-19-14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyIDENYHKRFISLHI-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.59
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-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate?
The IUPAC name of (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate (CID 4213909) is (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate.
What is the SMILES notation for (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate?
The canonical SMILES for (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate is Fc1ccc(CSC(=S)Nc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate?
The InChIKey is IDENYHKRFISLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NS2/c15-11-3-1-10(2-4-11)9-19-14(18)17-13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18).
What are the key properties of (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate?
(4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate has a molecular weight of 295.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-(4-fluorophenyl)carbamodithioate is sourced from PubChem (CID 4213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).