methyl N-(2-fluoroethyl)carbamodithioate

C4H8FNS2 — CID 140971410

IUPACmethyl N-(2-fluoroethyl)carbamodithioate
SMILESCSC(=S)NCCF
InChIInChI=1S/C4H8FNS2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKeyNAFBBXZNSZMDHC-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.19
Rot. Bonds2

About methyl N-(2-fluoroethyl)carbamodithioate

methyl N-(2-fluoroethyl)carbamodithioate (PubChem CID 140971410) has the molecular formula C4H8FNS2 and a molecular weight of 153.25 g/mol. Its IUPAC name is methyl N-(2-fluoroethyl)carbamodithioate.

Molecular Properties

Compound Namemethyl N-(2-fluoroethyl)carbamodithioate
PubChem CID140971410
Molecular FormulaC4H8FNS2
Molecular Weight153.25 g/mol
Exact Mass153.01
IUPAC Namemethyl N-(2-fluoroethyl)carbamodithioate
SMILESCSC(=S)NCCF
InChIInChI=1S/C4H8FNS2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKeyNAFBBXZNSZMDHC-UHFFFAOYSA-N
XLogP1.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.19
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 methyl N-(2-fluoroethyl)carbamodithioate?
The IUPAC name of methyl N-(2-fluoroethyl)carbamodithioate (CID 140971410) is methyl N-(2-fluoroethyl)carbamodithioate.
What is the SMILES notation for methyl N-(2-fluoroethyl)carbamodithioate?
The canonical SMILES for methyl N-(2-fluoroethyl)carbamodithioate is CSC(=S)NCCF.
What is the InChIKey of methyl N-(2-fluoroethyl)carbamodithioate?
The InChIKey is NAFBBXZNSZMDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNS2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7).
What are the key properties of methyl N-(2-fluoroethyl)carbamodithioate?
methyl N-(2-fluoroethyl)carbamodithioate has a molecular weight of 153.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-fluoroethyl)carbamodithioate is sourced from PubChem (CID 140971410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).