phenyl N-methylethanimidothioate

C9H11NS — CID 15707425

IUPACphenyl N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccccc1
InChIInChI=1S/C9H11NS/c1-8(10-2)11-9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+
InChIKeyYDBUCKRQZDOCGB-CSKARUKUSA-N
MW165.26 g/mol
LogP2.83
Rot. Bonds1

About phenyl N-methylethanimidothioate

phenyl N-methylethanimidothioate (PubChem CID 15707425) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is phenyl N-methylethanimidothioate.

Molecular Properties

Compound Namephenyl N-methylethanimidothioate
PubChem CID15707425
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Namephenyl N-methylethanimidothioate
SMILESC/N=C(\C)Sc1ccccc1
InChIInChI=1S/C9H11NS/c1-8(10-2)11-9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+
InChIKeyYDBUCKRQZDOCGB-CSKARUKUSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

But-1-en-2-ylsulfanylbenzene
CID 13594798
[(2-Isothiocyanatoethyl)sulfanyl]benzene
CID 4962505
Benzene, [(1-methylethenyl)thio]-
CID 11030001
(Chloro-phenylthiomethylene)dimethylammonium chloride
CID 11424866
2-Phenylthio-2-butene
CID 12664948
[(2-Isocyanatoethyl)thio]benzene
CID 20525097
Buta-2,3-dien-2-ylsulfanylbenzene
CID 23270110
Phenyl ethanimidothioate
CID 110191439
(4-fluorophenyl) N-methylethanimidothioate
CID 143082602
(3-Fluorophenyl) ethanimidothioate
CID 145562294
1-fluoro-2,4-dimethyl-1-phenyl-5-[(Z)-prop-1-enyl]-1,3-thiazole
CID 146359411
(2-fluorophenyl) N-methylethanimidothioate
CID 153357217

Frequently Asked Questions

What is the IUPAC name of phenyl N-methylethanimidothioate?
The IUPAC name of phenyl N-methylethanimidothioate (CID 15707425) is phenyl N-methylethanimidothioate.
What is the SMILES notation for phenyl N-methylethanimidothioate?
The canonical SMILES for phenyl N-methylethanimidothioate is C/N=C(\C)Sc1ccccc1.
What is the InChIKey of phenyl N-methylethanimidothioate?
The InChIKey is YDBUCKRQZDOCGB-CSKARUKUSA-N. The full InChI is InChI=1S/C9H11NS/c1-8(10-2)11-9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+.
What are the key properties of phenyl N-methylethanimidothioate?
phenyl N-methylethanimidothioate has a molecular weight of 165.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methylethanimidothioate is sourced from PubChem (CID 15707425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).