2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran

C11H12O2S — CID 139071712

IUPAC2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran
SMILESCc1ccc2oc(C)c([S@](C)=O)c2c1
InChIInChI=1S/C11H12O2S/c1-7-4-5-10-9(6-7)11(14(3)12)8(2)13-10/h4-6H,1-3H3/t14-/m0/s1
InChIKeyLPYJWJSWDMFSBJ-AWEZNQCLSA-N
MW208.28 g/mol
LogP2.79
Rot. Bonds1

About 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran

2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran (PubChem CID 139071712) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran.

Molecular Properties

Compound Name2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran
PubChem CID139071712
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran
SMILESCc1ccc2oc(C)c([S@](C)=O)c2c1
InChIInChI=1S/C11H12O2S/c1-7-4-5-10-9(6-7)11(14(3)12)8(2)13-10/h4-6H,1-3H3/t14-/m0/s1
InChIKeyLPYJWJSWDMFSBJ-AWEZNQCLSA-N
XLogP2.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid
CID 91513407
2-(4-bromophenyl)-5-methyl-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139072598
3-chloro-2,5-dimethyl-1-benzofuran
CID 90163019
2-methyl-1-methylsulfinylbenzo[e][1]benzofuran
CID 86100625
5-bromo-2-methyl-3-[(S)-phenylsulfinyl]-1-benzofuran
CID 139072564
3-[(S)-(4-fluorophenyl)sulfinyl]-5-iodo-2-methyl-1-benzofuran
CID 139079051
2-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1-benzofuran
CID 138612128
ethyl 2-[3-[(R)-ethylsulfinyl]-5-methyl-1-benzofuran-2-yl]acetate
CID 139076357
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
2-iodo-3,5-dimethyl-1-benzofuran
CID 163624789
6-methyl-2-propan-2-ylchromen-4-one
CID 170985483

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran?
The IUPAC name of 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran (CID 139071712) is 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran.
What is the SMILES notation for 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran?
The canonical SMILES for 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran is Cc1ccc2oc(C)c([S@](C)=O)c2c1.
What is the InChIKey of 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran?
The InChIKey is LPYJWJSWDMFSBJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C11H12O2S/c1-7-4-5-10-9(6-7)11(14(3)12)8(2)13-10/h4-6H,1-3H3/t14-/m0/s1.
What are the key properties of 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran?
2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran has a molecular weight of 208.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[(S)-methylsulfinyl]-1-benzofuran is sourced from PubChem (CID 139071712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).