methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine

C15H14N2O2S — CID 143172875

IUPACmethanethioamide;(4-methoxydibenzofuran-1-yl)methanimine
SMILESNC=S.[H]/N=C/c1ccc(OC)c2oc3ccccc3c12
InChIInChI=1S/C14H11NO2.CH3NS/c1-16-12-7-6-9(8-15)13-10-4-2-3-5-11(10)17-14(12)13;2-1-3/h2-8,15H,1H3;1H,(H2,2,3)/b15-8+;
InChIKeySQVDMMYOPKVMQY-TWNLEINFSA-N
MW286.36 g/mol
LogP3.49
Rot. Bonds2

About methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine

methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine (PubChem CID 143172875) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine.

Molecular Properties

Compound Namemethanethioamide;(4-methoxydibenzofuran-1-yl)methanimine
PubChem CID143172875
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namemethanethioamide;(4-methoxydibenzofuran-1-yl)methanimine
SMILESNC=S.[H]/N=C/c1ccc(OC)c2oc3ccccc3c12
InChIInChI=1S/C14H11NO2.CH3NS/c1-16-12-7-6-9(8-15)13-10-4-2-3-5-11(10)17-14(12)13;2-1-3/h2-8,15H,1H3;1H,(H2,2,3)/b15-8+;
InChIKeySQVDMMYOPKVMQY-TWNLEINFSA-N
XLogP3.49
TPSA72.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-methoxydibenzofuran
CID 91030787
1-ethenyl-4-methoxyxanthen-9-one
CID 11391100
3,5-dichloro-4-[2-(4-methoxydibenzofuran-1-yl)ethenyl]-1-oxidopyridin-1-ium
CID 123279844
3-methoxydibenzofuran-1,4-diamine
CID 68825275
1,3-dimethoxy-4-methyldibenzofuran
CID 86106843
3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one
CID 11716262
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde
CID 143235906
ethane;4-methoxy-8-(trifluoromethyl)dibenzofuran-1-carbaldehyde
CID 143864881
1,2-dimethoxy-9-oxoxanthene-4-carbaldehyde
CID 71664197
4-dibenzofuran-1-yl-2-methoxybenzaldehyde
CID 22566659
1-chloro-4-methoxy-10H-[1]benzofuro[3,2-b]indole
CID 166048938

Frequently Asked Questions

What is the IUPAC name of methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine?
The IUPAC name of methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine (CID 143172875) is methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine.
What is the SMILES notation for methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine?
The canonical SMILES for methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine is NC=S.[H]/N=C/c1ccc(OC)c2oc3ccccc3c12.
What is the InChIKey of methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine?
The InChIKey is SQVDMMYOPKVMQY-TWNLEINFSA-N. The full InChI is InChI=1S/C14H11NO2.CH3NS/c1-16-12-7-6-9(8-15)13-10-4-2-3-5-11(10)17-14(12)13;2-1-3/h2-8,15H,1H3;1H,(H2,2,3)/b15-8+;.
What are the key properties of methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine?
methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine has a molecular weight of 286.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioamide;(4-methoxydibenzofuran-1-yl)methanimine is sourced from PubChem (CID 143172875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).