amino-(2-methoxy-4,5-dimethylphenyl)methanethiol

C10H15NOS — CID 116939456

IUPACamino-(2-methoxy-4,5-dimethylphenyl)methanethiol
SMILESCOc1cc(C)c(C)cc1C(N)S
InChIInChI=1S/C10H15NOS/c1-6-4-8(10(11)13)9(12-3)5-7(6)2/h4-5,10,13H,11H2,1-3H3
InChIKeyZNXQMMOHJCFYLC-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.20
Rot. Bonds2

About amino-(2-methoxy-4,5-dimethylphenyl)methanethiol

amino-(2-methoxy-4,5-dimethylphenyl)methanethiol (PubChem CID 116939456) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is amino-(2-methoxy-4,5-dimethylphenyl)methanethiol.

Molecular Properties

Compound Nameamino-(2-methoxy-4,5-dimethylphenyl)methanethiol
PubChem CID116939456
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Nameamino-(2-methoxy-4,5-dimethylphenyl)methanethiol
SMILESCOc1cc(C)c(C)cc1C(N)S
InChIInChI=1S/C10H15NOS/c1-6-4-8(10(11)13)9(12-3)5-7(6)2/h4-5,10,13H,11H2,1-3H3
InChIKeyZNXQMMOHJCFYLC-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116947260
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
CID 82291991
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
(2,5-dimethoxy-4-methylphenyl)-(dimethylamino)methanethiol
CID 116909428
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373

Frequently Asked Questions

What is the IUPAC name of amino-(2-methoxy-4,5-dimethylphenyl)methanethiol?
The IUPAC name of amino-(2-methoxy-4,5-dimethylphenyl)methanethiol (CID 116939456) is amino-(2-methoxy-4,5-dimethylphenyl)methanethiol.
What is the SMILES notation for amino-(2-methoxy-4,5-dimethylphenyl)methanethiol?
The canonical SMILES for amino-(2-methoxy-4,5-dimethylphenyl)methanethiol is COc1cc(C)c(C)cc1C(N)S.
What is the InChIKey of amino-(2-methoxy-4,5-dimethylphenyl)methanethiol?
The InChIKey is ZNXQMMOHJCFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-6-4-8(10(11)13)9(12-3)5-7(6)2/h4-5,10,13H,11H2,1-3H3.
What are the key properties of amino-(2-methoxy-4,5-dimethylphenyl)methanethiol?
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol has a molecular weight of 197.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-methoxy-4,5-dimethylphenyl)methanethiol is sourced from PubChem (CID 116939456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).