Methyl (4-ethoxy-3-fluorophenyl)carbamodithioate

HCID 19599208
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Basic information

CAS
194923-13-2
Standard SMILES
CCOc1ccc(NC(=S)SC)cc1F
InChIKey
ICTOAQZVVICEMJ-UHFFFAOYSA-N
Molecular formula
C10H12FNOS2
Average molar mass
245.3 g/mol
Monoisotopic mass
245.03443452

Names & identifiers

Preferred name
Methyl (4-ethoxy-3-fluorophenyl)carbamodithioate
IUPAC
methyl N-(4-ethoxy-3-fluorophenyl)carbamodithioate

Names & synonyms

Methyl (4-ethoxy-3-fluorophenyl)carbamodithioate194923-13-2SCHEMBL8372154DTXSID80598950ICTOAQZVVICEMJ-UHFFFAOYSA-Nmethyl 4-ethoxy-3-fluorophenyldithiocarbamate

Database identifiers

CAS
194923-13-2
PubChem CID
19599208
DTXSID
DTXSID80598950

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
78.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Related reactions

4 records
New reaction record

Compound notes

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