2-amino-2-(2,3,4-trimethylphenyl)ethanethiol

C11H17NS — CID 116830565

IUPAC2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
SMILESCc1ccc(C(N)CS)c(C)c1C
InChIInChI=1S/C11H17NS/c1-7-4-5-10(11(12)6-13)9(3)8(7)2/h4-5,11,13H,6,12H2,1-3H3
InChIKeyNAAAPNRRHSRQMK-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.54
Rot. Bonds2

About 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol

2-amino-2-(2,3,4-trimethylphenyl)ethanethiol (PubChem CID 116830565) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol.

Molecular Properties

Compound Name2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
PubChem CID116830565
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
SMILESCc1ccc(C(N)CS)c(C)c1C
InChIInChI=1S/C11H17NS/c1-7-4-5-10(11(12)6-13)9(3)8(7)2/h4-5,11,13H,6,12H2,1-3H3
InChIKeyNAAAPNRRHSRQMK-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116934101
[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116944873
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579
2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 116938967
3,3-bis(2,3,4-trimethylphenyl)propylphosphane
CID 90110329
2-(4-methylpiperazin-2-yl)-1-(2,3,4-trimethylphenyl)ethanamine
CID 116941716

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol?
The IUPAC name of 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol (CID 116830565) is 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol.
What is the SMILES notation for 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol?
The canonical SMILES for 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol is Cc1ccc(C(N)CS)c(C)c1C.
What is the InChIKey of 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol?
The InChIKey is NAAAPNRRHSRQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7-4-5-10(11(12)6-13)9(3)8(7)2/h4-5,11,13H,6,12H2,1-3H3.
What are the key properties of 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol?
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol has a molecular weight of 195.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3,4-trimethylphenyl)ethanethiol is sourced from PubChem (CID 116830565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).