2-methoxysulfanylbenzamide

C8H9NO2S — CID 70437747

IUPAC2-methoxysulfanylbenzamide
SMILESCOSc1ccccc1C(N)=O
InChIInChI=1S/C8H9NO2S/c1-11-12-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyZWACXUXENCWAHT-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.44
Rot. Bonds3

About 2-methoxysulfanylbenzamide

2-methoxysulfanylbenzamide (PubChem CID 70437747) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-methoxysulfanylbenzamide.

Molecular Properties

Compound Name2-methoxysulfanylbenzamide
PubChem CID70437747
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-methoxysulfanylbenzamide
SMILESCOSc1ccccc1C(N)=O
InChIInChI=1S/C8H9NO2S/c1-11-12-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKeyZWACXUXENCWAHT-UHFFFAOYSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Benzisothiazol-3(2H)-one
CID 17520
Benzamide, 2,2'-dithiobis-
CID 72552
4-Methylbenzamide
CID 69274
4-(Aminosulfonyl)benzamide
CID 80563
Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
N-(phenylsulfonyl)benzamide
CID 229604
Farnesyl Thiosalicylic Acid Amide
CID 25187973
N-Methoxybenzamide
CID 12355457
2-Sulfanylbenzamide
CID 350657
4-Mercapto-benzamide
CID 22351612
1-Imino-2,3-dihydro-1lambda6,2-benzothiazole-1,3-dione
CID 137643855
N-(4-Methylbenzoyl)benzenesulfonamide
CID 759524

Frequently Asked Questions

What is the IUPAC name of 2-methoxysulfanylbenzamide?
The IUPAC name of 2-methoxysulfanylbenzamide (CID 70437747) is 2-methoxysulfanylbenzamide.
What is the SMILES notation for 2-methoxysulfanylbenzamide?
The canonical SMILES for 2-methoxysulfanylbenzamide is COSc1ccccc1C(N)=O.
What is the InChIKey of 2-methoxysulfanylbenzamide?
The InChIKey is ZWACXUXENCWAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-11-12-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10).
What are the key properties of 2-methoxysulfanylbenzamide?
2-methoxysulfanylbenzamide has a molecular weight of 183.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysulfanylbenzamide is sourced from PubChem (CID 70437747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).