(3,4-difluorophenyl) N,N-dimethylcarbamodithioate

C9H9F2NS2 — CID 155936820

IUPAC(3,4-difluorophenyl) N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NS2/c1-12(2)9(13)14-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKeyNDRIHNRUKKJSJR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.90
Rot. Bonds1

About (3,4-difluorophenyl) N,N-dimethylcarbamodithioate

(3,4-difluorophenyl) N,N-dimethylcarbamodithioate (PubChem CID 155936820) has the molecular formula C9H9F2NS2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3,4-difluorophenyl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(3,4-difluorophenyl) N,N-dimethylcarbamodithioate
PubChem CID155936820
Molecular FormulaC9H9F2NS2
Molecular Weight233.31 g/mol
Exact Mass233.01
IUPAC Name(3,4-difluorophenyl) N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NS2/c1-12(2)9(13)14-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKeyNDRIHNRUKKJSJR-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.90
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 (3,4-difluorophenyl) N,N-dimethylcarbamodithioate?
The IUPAC name of (3,4-difluorophenyl) N,N-dimethylcarbamodithioate (CID 155936820) is (3,4-difluorophenyl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (3,4-difluorophenyl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (3,4-difluorophenyl) N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl) N,N-dimethylcarbamodithioate?
The InChIKey is NDRIHNRUKKJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NS2/c1-12(2)9(13)14-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3.
What are the key properties of (3,4-difluorophenyl) N,N-dimethylcarbamodithioate?
(3,4-difluorophenyl) N,N-dimethylcarbamodithioate has a molecular weight of 233.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 155936820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).