ethanethial;(2-methylphenyl)methanamine

C10H15NS — CID 143288844

IUPACethanethial;(2-methylphenyl)methanamine
SMILESCC=S.Cc1ccccc1CN
InChIInChI=1S/C8H11N.C2H4S/c1-7-4-2-3-5-8(7)6-9;1-2-3/h2-5H,6,9H2,1H3;2H,1H3
InChIKeyDZSIKRUYQSLAJX-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.46
Rot. Bonds1

About ethanethial;(2-methylphenyl)methanamine

ethanethial;(2-methylphenyl)methanamine (PubChem CID 143288844) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is ethanethial;(2-methylphenyl)methanamine.

Molecular Properties

Compound Nameethanethial;(2-methylphenyl)methanamine
PubChem CID143288844
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Nameethanethial;(2-methylphenyl)methanamine
SMILESCC=S.Cc1ccccc1CN
InChIInChI=1S/C8H11N.C2H4S/c1-7-4-2-3-5-8(7)6-9;1-2-3/h2-5H,6,9H2,1H3;2H,1H3
InChIKeyDZSIKRUYQSLAJX-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl)methanamine;molecular hydrogen;propane
CID 144873800
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
(2-methylphenyl)methylhydrazine;hydrochloride
CID 42940672
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
(2-methylphenyl)methylthiourea
CID 18399980
CID 142383163
CID 142383163
(8-methylnaphthalen-1-yl)methanamine
CID 58219649
ethanamine;1,2-xylene
CID 160781195
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941

Frequently Asked Questions

What is the IUPAC name of ethanethial;(2-methylphenyl)methanamine?
The IUPAC name of ethanethial;(2-methylphenyl)methanamine (CID 143288844) is ethanethial;(2-methylphenyl)methanamine.
What is the SMILES notation for ethanethial;(2-methylphenyl)methanamine?
The canonical SMILES for ethanethial;(2-methylphenyl)methanamine is CC=S.Cc1ccccc1CN.
What is the InChIKey of ethanethial;(2-methylphenyl)methanamine?
The InChIKey is DZSIKRUYQSLAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H4S/c1-7-4-2-3-5-8(7)6-9;1-2-3/h2-5H,6,9H2,1H3;2H,1H3.
What are the key properties of ethanethial;(2-methylphenyl)methanamine?
ethanethial;(2-methylphenyl)methanamine has a molecular weight of 181.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethial;(2-methylphenyl)methanamine is sourced from PubChem (CID 143288844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).