2-methylsulfanyl-N-(propan-2-ylideneamino)aniline

C10H14N2S — CID 130677870

IUPAC2-methylsulfanyl-N-(propan-2-ylideneamino)aniline
SMILESCSc1ccccc1NN=C(C)C
InChIInChI=1S/C10H14N2S/c1-8(2)11-12-9-6-4-5-7-10(9)13-3/h4-7,12H,1-3H3
InChIKeyMFOCITSKONSCSS-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.22
Rot. Bonds3

About 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline

2-methylsulfanyl-N-(propan-2-ylideneamino)aniline (PubChem CID 130677870) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline.

Molecular Properties

Compound Name2-methylsulfanyl-N-(propan-2-ylideneamino)aniline
PubChem CID130677870
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-methylsulfanyl-N-(propan-2-ylideneamino)aniline
SMILESCSc1ccccc1NN=C(C)C
InChIInChI=1S/C10H14N2S/c1-8(2)11-12-9-6-4-5-7-10(9)13-3/h4-7,12H,1-3H3
InChIKeyMFOCITSKONSCSS-UHFFFAOYSA-N
XLogP3.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline?
The IUPAC name of 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline (CID 130677870) is 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline.
What is the SMILES notation for 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline?
The canonical SMILES for 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline is CSc1ccccc1NN=C(C)C.
What is the InChIKey of 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline?
The InChIKey is MFOCITSKONSCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8(2)11-12-9-6-4-5-7-10(9)13-3/h4-7,12H,1-3H3.
What are the key properties of 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline?
2-methylsulfanyl-N-(propan-2-ylideneamino)aniline has a molecular weight of 194.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(propan-2-ylideneamino)aniline is sourced from PubChem (CID 130677870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).