Methyl N,N'-dimethyl-N-phenylcarbamimidothioate

HCID 12377317

Notes Reactions

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Basic information

CAS: 59226-53-8
Standard SMILES: CN=C(SC)N(C)c1ccccc1
InChIKey: UZBRAKVVSIBMER-UHFFFAOYSA-N
Molecular formula: C10H14N2S
Average molar mass: 194.3 g/mol
Monoisotopic mass: 194.08776963

Names & identifiers

Preferred name: Methyl N,N'-dimethyl-N-phenylcarbamimidothioate
IUPAC: methyl N,N'-dimethyl-N-phenylcarbamimidothioate

Names & synonyms

Methyl N,N'-dimethyl-N-phenylcarbamimidothioate59226-53-8SCHEMBL11797005SCHEMBL11797013DTXSID40495173UZBRAKVVSIBMER-UHFFFAOYSA-NS-methyl-N-phenyl-N,N'-dimethylisothiourea

Database identifiers

CAS: 59226-53-8
PubChem CID: 12377317
DTXSID: DTXSID40495173

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 40.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Related reactions

2 records

New reaction record

HRID 1974196As reactantuspto-grants-1976_12

HRID 2316390As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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