2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone

C9H10ClNOS — CID 84681474

IUPAC2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone
SMILESCSc1cc(Cl)cc(C(=O)CN)c1
InChIInChI=1S/C9H10ClNOS/c1-13-8-3-6(9(12)5-11)2-7(10)4-8/h2-4H,5,11H2,1H3
InChIKeyIXTOQWRPFATNPI-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone

2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone (PubChem CID 84681474) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone
PubChem CID84681474
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC Name2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone
SMILESCSc1cc(Cl)cc(C(=O)CN)c1
InChIInChI=1S/C9H10ClNOS/c1-13-8-3-6(9(12)5-11)2-7(10)4-8/h2-4H,5,11H2,1H3
InChIKeyIXTOQWRPFATNPI-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,5-dichloro-4-fluorophenyl)ethanone;hydrochloride
CID 122235372
1-(3-amino-5-methylsulfanylphenyl)propan-1-one
CID 131194880
1-[3-chloro-5-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640865
(3-chloro-5-methylsulfanylphenyl)methanol
CID 84661794
ethyl 3-methylsulfanyl-5-propanoylbenzoate
CID 134641941
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
2-amino-1-(2,4,6-trichlorophenyl)ethanone
CID 70444583
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
3,5-bis(methylsulfanyl)benzoic acid
CID 21445961
2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
CID 117420397
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
CID 162236083

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone (CID 84681474) is 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone is CSc1cc(Cl)cc(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone?
The InChIKey is IXTOQWRPFATNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-13-8-3-6(9(12)5-11)2-7(10)4-8/h2-4H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone?
2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone has a molecular weight of 215.70 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 84681474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).