methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate

C11H14N2O2S — CID 173368997

IUPACmethyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate
SMILESCSC(C)=NOC(=O)N(C)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-9(16-3)12-15-11(14)13(2)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyLIGCVUFHKPSHIS-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.96
Rot. Bonds2

About methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate

methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate (PubChem CID 173368997) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate.

Molecular Properties

Compound Namemethyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate
PubChem CID173368997
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Namemethyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate
SMILESCSC(C)=NOC(=O)N(C)c1ccccc1
InChIInChI=1S/C11H14N2O2S/c1-9(16-3)12-15-11(14)13(2)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKeyLIGCVUFHKPSHIS-UHFFFAOYSA-N
XLogP2.96
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (1Z)-N-[methyl(phenylsulfanylsulfinyl)carbamoyl]oxyethanimidothioate
CID 6510011
methyl (1E)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
CID 5360870
acetamido N-methyl-N-phenylcarbamate
CID 155295151
methyl (1E)-N-[methyl-[2-methylpropyl-(2-sulfanylidene-1,3,2λ5-benzodioxaphosphol-2-yl)amino]sulfanylcarbamoyl]oxyethanimidothioate
CID 88733596
(4-hydroxycyclohexyl) N-methyl-N-phenylcarbamate
CID 174772133
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
2-hydroxyethyl N-methyl-N-phenylcarbamate
CID 79346039
methyl N-[[N-chloro-2-[ethyl(phenoxy)phosphinothioyl]anilino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
CID 88814837
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide
CID 135666294
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
methyl N-[[[methoxy(phenyl)phosphinothioyl]-methylamino]sulfanylmethylcarbamoyloxy]ethanimidothioate
CID 148919711

Frequently Asked Questions

What is the IUPAC name of methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate?
The IUPAC name of methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate (CID 173368997) is methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate.
What is the SMILES notation for methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate?
The canonical SMILES for methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate is CSC(C)=NOC(=O)N(C)c1ccccc1.
What is the InChIKey of methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate?
The InChIKey is LIGCVUFHKPSHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9(16-3)12-15-11(14)13(2)10-7-5-4-6-8-10/h4-8H,1-3H3.
What are the key properties of methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate?
methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate has a molecular weight of 238.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate is sourced from PubChem (CID 173368997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).