methanethiol;2-methanimidoyl-6-phenylphenol

C14H15NOS — CID 142577801

IUPACmethanethiol;2-methanimidoyl-6-phenylphenol
SMILESCS.[H]/N=C/c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C13H11NO.CH4S/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10;1-2/h1-9,14-15H;2H,1H3/b14-9+;
InChIKeyKBYURBBKROTAHV-KYIGKLDSSA-N
MW245.35 g/mol
LogP3.60
Rot. Bonds2

About methanethiol;2-methanimidoyl-6-phenylphenol

methanethiol;2-methanimidoyl-6-phenylphenol (PubChem CID 142577801) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is methanethiol;2-methanimidoyl-6-phenylphenol.

Molecular Properties

Compound Namemethanethiol;2-methanimidoyl-6-phenylphenol
PubChem CID142577801
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Namemethanethiol;2-methanimidoyl-6-phenylphenol
SMILESCS.[H]/N=C/c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C13H11NO.CH4S/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10;1-2/h1-9,14-15H;2H,1H3/b14-9+;
InChIKeyKBYURBBKROTAHV-KYIGKLDSSA-N
XLogP3.60
TPSA44.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
2-methyl-6-phenylphenol
CID 12592481
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
acetylene;3-phenylbenzene-1,2-diol
CID 70170334
2-[(Z)-[(3Z)-3-[(2-hydroxy-3-phenylphenyl)methylidene]-1,3-diazinane-1,3-diium-1-ylidene]methyl]-6-phenylphenol
CID 23578276
2-hydroxy-3-(4-methylphenyl)benzaldehyde
CID 22507827
2-(2-hydroxy-6-phenylphenyl)-6-phenylphenol
CID 155664156
(2-phenyl-3-pyridinyl)methanimine
CID 90856278
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
bis(2,6-diphenylphenol);methanidylbenzene;titanium(2+)
CID 134902847
1-(2-methylprop-1-enyl)-2-phenylbenzene
CID 59340374
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547

Frequently Asked Questions

What is the IUPAC name of methanethiol;2-methanimidoyl-6-phenylphenol?
The IUPAC name of methanethiol;2-methanimidoyl-6-phenylphenol (CID 142577801) is methanethiol;2-methanimidoyl-6-phenylphenol.
What is the SMILES notation for methanethiol;2-methanimidoyl-6-phenylphenol?
The canonical SMILES for methanethiol;2-methanimidoyl-6-phenylphenol is CS.[H]/N=C/c1cccc(-c2ccccc2)c1O.
What is the InChIKey of methanethiol;2-methanimidoyl-6-phenylphenol?
The InChIKey is KBYURBBKROTAHV-KYIGKLDSSA-N. The full InChI is InChI=1S/C13H11NO.CH4S/c14-9-11-7-4-8-12(13(11)15)10-5-2-1-3-6-10;1-2/h1-9,14-15H;2H,1H3/b14-9+;.
What are the key properties of methanethiol;2-methanimidoyl-6-phenylphenol?
methanethiol;2-methanimidoyl-6-phenylphenol has a molecular weight of 245.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;2-methanimidoyl-6-phenylphenol is sourced from PubChem (CID 142577801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).