phenyl N-methylmethanimidothioate

C8H9NS — CID 143977879

IUPACphenyl N-methylmethanimidothioate
SMILESC/N=C/Sc1ccccc1
InChIInChI=1S/C8H9NS/c1-9-7-10-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyHBYONKUKLFIGNV-VQHVLOKHSA-N
MW151.23 g/mol
LogP2.44
Rot. Bonds2

About phenyl N-methylmethanimidothioate

phenyl N-methylmethanimidothioate (PubChem CID 143977879) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is phenyl N-methylmethanimidothioate.

Molecular Properties

Compound Namephenyl N-methylmethanimidothioate
PubChem CID143977879
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Namephenyl N-methylmethanimidothioate
SMILESC/N=C/Sc1ccccc1
InChIInChI=1S/C8H9NS/c1-9-7-10-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyHBYONKUKLFIGNV-VQHVLOKHSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.44
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

[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
2-(2,2-dimethylcyclopropyl)ethenylsulfanylbenzene
CID 70566874
[(Z)-pent-1-enyl]sulfanylbenzene
CID 10397364
[(1Z)-buta-1,3-dienyl]sulfanylbenzene
CID 5367968
non-1-enylsulfanylbenzene
CID 72760837
[(E)-2-methyl-4-phenylsulfanylbut-3-en-2-yl]sulfanylbenzene
CID 11808288
[(1E,3E)-4-bromobuta-1,3-dienyl]sulfanylbenzene
CID 11791331
3,3,3-trifluoroprop-1-enylsulfanylbenzene
CID 73014289
(Z)-3-phenylsulfanylprop-2-en-1-ol
CID 12685459
(E)-1-phenylsulfanylpent-1-en-3-one
CID 14224807
azane;(E)-3-phenylsulfanylprop-2-enoic acid
CID 131666969
[(E)-2-phenylselanylethenyl]sulfanylbenzene
CID 13334237

Frequently Asked Questions

What is the IUPAC name of phenyl N-methylmethanimidothioate?
The IUPAC name of phenyl N-methylmethanimidothioate (CID 143977879) is phenyl N-methylmethanimidothioate.
What is the SMILES notation for phenyl N-methylmethanimidothioate?
The canonical SMILES for phenyl N-methylmethanimidothioate is C/N=C/Sc1ccccc1.
What is the InChIKey of phenyl N-methylmethanimidothioate?
The InChIKey is HBYONKUKLFIGNV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9NS/c1-9-7-10-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+.
What are the key properties of phenyl N-methylmethanimidothioate?
phenyl N-methylmethanimidothioate has a molecular weight of 151.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methylmethanimidothioate is sourced from PubChem (CID 143977879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).