1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one

C14H14OS — CID 15650188

IUPAC1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one
SMILESCCC(=O)c1ccc(SC)c2ccccc12
InChIInChI=1S/C14H14OS/c1-3-13(15)11-8-9-14(16-2)12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3
InChIKeyKBITZEWNJZJHKJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.15
Rot. Bonds3

About 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one

1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one (PubChem CID 15650188) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one
PubChem CID15650188
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one
SMILESCCC(=O)c1ccc(SC)c2ccccc12
InChIInChI=1S/C14H14OS/c1-3-13(15)11-8-9-14(16-2)12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3
InChIKeyKBITZEWNJZJHKJ-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylnaphthalen-1-yl)ethanone;1-(4-methylsulfanylnaphthalen-1-yl)ethanone
CID 161367210
1-[4-(difluoromethyl)-2-methylsulfanylphenyl]propan-1-one
CID 118826726
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]propan-1-one
CID 3031026
1-[2-(methyldisulfanyl)phenyl]propan-1-one
CID 174805694
2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
CID 154198459
1-(4-piperidin-1-ylnaphthalen-1-yl)propan-1-one
CID 174478124
1-[2-(bromomethyl)-3-methylsulfanylphenyl]propan-1-one
CID 131382106
1-(2-phosphanylphenyl)propan-1-one
CID 143391077
4-butan-2-ylsulfanylnaphthalene-1-carboxylic acid
CID 114088674
(4-bromonaphthalen-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79593292
1-(2-methylsulfanyl-5-nitrophenyl)propan-1-one
CID 170836459
2-hydroxy-2-(3-methylsulfanyl-4-propanoylphenyl)acetic acid
CID 134657808

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one (CID 15650188) is 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one is CCC(=O)c1ccc(SC)c2ccccc12.
What is the InChIKey of 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one?
The InChIKey is KBITZEWNJZJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-3-13(15)11-8-9-14(16-2)12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one?
1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one has a molecular weight of 230.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylnaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 15650188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).