2-[(2-methylphenyl)methylsulfanyl]acetamide

C10H13NOS — CID 3401385

IUPAC2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(N)=O
InChIInChI=1S/C10H13NOS/c1-8-4-2-3-5-9(8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyRAFJBILHZRGMBC-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.71
Rot. Bonds4

About 2-[(2-methylphenyl)methylsulfanyl]acetamide

2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 3401385) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID3401385
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(N)=O
InChIInChI=1S/C10H13NOS/c1-8-4-2-3-5-9(8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)
InChIKeyRAFJBILHZRGMBC-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 3401385) is 2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(N)=O.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is RAFJBILHZRGMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8-4-2-3-5-9(8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12).
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]acetamide?
2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 195.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3401385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).