(2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate

C10H8F5NS2 — CID 71371301

IUPAC(2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5NS2/c1-16(2)10(17)18-3-4-5(11)7(13)9(15)8(14)6(4)12/h3H2,1-2H3
InChIKeySKYVDNGEANPULV-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.46
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate

(2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate (PubChem CID 71371301) has the molecular formula C10H8F5NS2 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate
PubChem CID71371301
Molecular FormulaC10H8F5NS2
Molecular Weight301.31 g/mol
Exact Mass301.00
IUPAC Name(2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5NS2/c1-16(2)10(17)18-3-4-5(11)7(13)9(15)8(14)6(4)12/h3H2,1-2H3
InChIKeySKYVDNGEANPULV-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate (CID 71371301) is (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate?
The InChIKey is SKYVDNGEANPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NS2/c1-16(2)10(17)18-3-4-5(11)7(13)9(15)8(14)6(4)12/h3H2,1-2H3.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate?
(2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate has a molecular weight of 301.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)methyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 71371301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).