(4-fluorophenyl) N,N-dimethylcarbamodithioate

C9H10FNS2 — CID 131852205

IUPAC(4-fluorophenyl) N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccc(F)cc1
InChIInChI=1S/C9H10FNS2/c1-11(2)9(12)13-8-5-3-7(10)4-6-8/h3-6H,1-2H3
InChIKeyHLRWOKAVGOJEIF-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.76
Rot. Bonds1

About (4-fluorophenyl) N,N-dimethylcarbamodithioate

(4-fluorophenyl) N,N-dimethylcarbamodithioate (PubChem CID 131852205) has the molecular formula C9H10FNS2 and a molecular weight of 215.32 g/mol. Its IUPAC name is (4-fluorophenyl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(4-fluorophenyl) N,N-dimethylcarbamodithioate
PubChem CID131852205
Molecular FormulaC9H10FNS2
Molecular Weight215.32 g/mol
Exact Mass215.02
IUPAC Name(4-fluorophenyl) N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccc(F)cc1
InChIInChI=1S/C9H10FNS2/c1-11(2)9(12)13-8-5-3-7(10)4-6-8/h3-6H,1-2H3
InChIKeyHLRWOKAVGOJEIF-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.76
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-fluorophenyl) N,N-dimethylcarbamodithioate?
The IUPAC name of (4-fluorophenyl) N,N-dimethylcarbamodithioate (CID 131852205) is (4-fluorophenyl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (4-fluorophenyl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (4-fluorophenyl) N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) N,N-dimethylcarbamodithioate?
The InChIKey is HLRWOKAVGOJEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNS2/c1-11(2)9(12)13-8-5-3-7(10)4-6-8/h3-6H,1-2H3.
What are the key properties of (4-fluorophenyl) N,N-dimethylcarbamodithioate?
(4-fluorophenyl) N,N-dimethylcarbamodithioate has a molecular weight of 215.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 131852205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).