N-(4-methyl-2-methylsulfanylphenyl)formamide

C9H11NOS — CID 134474586

IUPACN-(4-methyl-2-methylsulfanylphenyl)formamide
SMILESCSc1cc(C)ccc1NC=O
InChIInChI=1S/C9H11NOS/c1-7-3-4-8(10-6-11)9(5-7)12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyREPLAEYIWGGOMQ-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.29
Rot. Bonds3

About N-(4-methyl-2-methylsulfanylphenyl)formamide

N-(4-methyl-2-methylsulfanylphenyl)formamide (PubChem CID 134474586) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(4-methyl-2-methylsulfanylphenyl)formamide.

Molecular Properties

Compound NameN-(4-methyl-2-methylsulfanylphenyl)formamide
PubChem CID134474586
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameN-(4-methyl-2-methylsulfanylphenyl)formamide
SMILESCSc1cc(C)ccc1NC=O
InChIInChI=1S/C9H11NOS/c1-7-3-4-8(10-6-11)9(5-7)12-2/h3-6H,1-2H3,(H,10,11)
InChIKeyREPLAEYIWGGOMQ-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-2-propan-2-ylsulfanylphenyl)formamide
CID 166899873
N-(2,5-dimethylphenyl)formamide;methane
CID 143644510
2-formamido-5-methylbenzenesulfonic acid
CID 168651388
ethane;S-[5-methyl-2-(methylamino)phenyl] methanethioate
CID 142337578
N-(4-fluoro-2-methylphenyl)formamide
CID 64992173
N-(2-ethyl-4-methylsulfanylphenyl)formamide
CID 162524929
N-(3-fluoro-2,4-dimethylphenyl)formamide
CID 168652075
N-[4-[2-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-methylsulfanylphenyl]formamide
CID 146580772
N-(4-formyl-2-methylphenyl)formamide
CID 144615218
N-(5-methyl-2-phenoxyphenyl)formamide
CID 2336214
N-[4-[2-(difluoromethyl)-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylsulfanylphenyl]formamide
CID 166654586
ethane;N-(4-methylphenyl)formamide
CID 142066401

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-methylsulfanylphenyl)formamide?
The IUPAC name of N-(4-methyl-2-methylsulfanylphenyl)formamide (CID 134474586) is N-(4-methyl-2-methylsulfanylphenyl)formamide.
What is the SMILES notation for N-(4-methyl-2-methylsulfanylphenyl)formamide?
The canonical SMILES for N-(4-methyl-2-methylsulfanylphenyl)formamide is CSc1cc(C)ccc1NC=O.
What is the InChIKey of N-(4-methyl-2-methylsulfanylphenyl)formamide?
The InChIKey is REPLAEYIWGGOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-7-3-4-8(10-6-11)9(5-7)12-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(4-methyl-2-methylsulfanylphenyl)formamide?
N-(4-methyl-2-methylsulfanylphenyl)formamide has a molecular weight of 181.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-methylsulfanylphenyl)formamide is sourced from PubChem (CID 134474586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).