(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone

C13H12OS2 — CID 79215169

IUPAC(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCSc1ccccc1C(=O)c1ccc(C)s1
InChIInChI=1S/C13H12OS2/c1-9-7-8-12(16-9)13(14)10-5-3-4-6-11(10)15-2/h3-8H,1-2H3
InChIKeyNRMQMXRJKNJGJR-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.01
Rot. Bonds3

About (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone

(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 79215169) has the molecular formula C13H12OS2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
PubChem CID79215169
Molecular FormulaC13H12OS2
Molecular Weight248.37 g/mol
Exact Mass248.03
IUPAC Name(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCSc1ccccc1C(=O)c1ccc(C)s1
InChIInChI=1S/C13H12OS2/c1-9-7-8-12(16-9)13(14)10-5-3-4-6-11(10)15-2/h3-8H,1-2H3
InChIKeyNRMQMXRJKNJGJR-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)-(2-methylsulfanylphenyl)methanone
CID 79214842
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 142970474
(2-methylsulfanylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 79215369
(3-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanone
CID 79214857
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
2-methylsulfanylbenzoate
CID 6932478
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanone
CID 79596715
(2-methylsulfanylphenyl)-[4-(trifluoromethyl)thiophen-3-yl]methanone
CID 112745680
2-methyl-1-(2-methylsulfanylphenyl)propan-1-one
CID 19361702
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343
cyclopenta-1,3-dien-1-yl-(2-methylsulfanylphenyl)methanone
CID 102043267

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone (CID 79215169) is (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone is CSc1ccccc1C(=O)c1ccc(C)s1.
What is the InChIKey of (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is NRMQMXRJKNJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS2/c1-9-7-8-12(16-9)13(14)10-5-3-4-6-11(10)15-2/h3-8H,1-2H3.
What are the key properties of (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone?
(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79215169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).