N,N-dimethylcarbamothioyl fluoride

C3H6FNS — CID 71367406

IUPACN,N-dimethylcarbamothioyl fluoride
SMILESCN(C)C(F)=S
InChIInChI=1S/C3H6FNS/c1-5(2)3(4)6/h1-2H3
InChIKeyAYFDDPOWVFXKRJ-UHFFFAOYSA-N
MW107.15 g/mol
LogP0.80
Rot. Bonds

About N,N-dimethylcarbamothioyl fluoride

N,N-dimethylcarbamothioyl fluoride (PubChem CID 71367406) has the molecular formula C3H6FNS and a molecular weight of 107.15 g/mol. Its IUPAC name is N,N-dimethylcarbamothioyl fluoride.

Molecular Properties

Compound NameN,N-dimethylcarbamothioyl fluoride
PubChem CID71367406
Molecular FormulaC3H6FNS
Molecular Weight107.15 g/mol
Exact Mass107.02
IUPAC NameN,N-dimethylcarbamothioyl fluoride
SMILESCN(C)C(F)=S
InChIInChI=1S/C3H6FNS/c1-5(2)3(4)6/h1-2H3
InChIKeyAYFDDPOWVFXKRJ-UHFFFAOYSA-N
XLogP0.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 54599967
CID 54599967
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
N,N-dimethylethanethioamide;hydrazine
CID 159847458
cesium dimethylamino(sulfanylidene)methaneselenolate
CID 102272545
potassium N,N-dimethylcarbamodithioate
CID 23662387
cerium;dimethylcarbamodithioic acid
CID 174758864
sodium dimethylcarbamodithioic acid
CID 19877808
1,1-difluoro-N,N-dimethylprop-1-en-2-amine
CID 134530504
O-hydroxy N,N-dimethylcarbamothioate
CID 126671146
disodium;dimethylcarbamodithioic acid;hydride
CID 174615347

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcarbamothioyl fluoride?
The IUPAC name of N,N-dimethylcarbamothioyl fluoride (CID 71367406) is N,N-dimethylcarbamothioyl fluoride.
What is the SMILES notation for N,N-dimethylcarbamothioyl fluoride?
The canonical SMILES for N,N-dimethylcarbamothioyl fluoride is CN(C)C(F)=S.
What is the InChIKey of N,N-dimethylcarbamothioyl fluoride?
The InChIKey is AYFDDPOWVFXKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNS/c1-5(2)3(4)6/h1-2H3.
What are the key properties of N,N-dimethylcarbamothioyl fluoride?
N,N-dimethylcarbamothioyl fluoride has a molecular weight of 107.15 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcarbamothioyl fluoride is sourced from PubChem (CID 71367406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).