2-methyl-1-propan-2-ylsulfinylnaphthalene

C14H16OS — CID 15653775

IUPAC2-methyl-1-propan-2-ylsulfinylnaphthalene
SMILESCc1ccc2ccccc2c1S(=O)C(C)C
InChIInChI=1S/C14H16OS/c1-10(2)16(15)14-11(3)8-9-12-6-4-5-7-13(12)14/h4-10H,1-3H3
InChIKeyYQGPTFQHHOIYCC-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.66
Rot. Bonds2

About 2-methyl-1-propan-2-ylsulfinylnaphthalene

2-methyl-1-propan-2-ylsulfinylnaphthalene (PubChem CID 15653775) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylsulfinylnaphthalene.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylsulfinylnaphthalene
PubChem CID15653775
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-methyl-1-propan-2-ylsulfinylnaphthalene
SMILESCc1ccc2ccccc2c1S(=O)C(C)C
InChIInChI=1S/C14H16OS/c1-10(2)16(15)14-11(3)8-9-12-6-4-5-7-13(12)14/h4-10H,1-3H3
InChIKeyYQGPTFQHHOIYCC-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
CID 15355669
2-bromo-1-[(R)-tert-butylsulfinyl]naphthalene
CID 10662790
(2-methylnaphthalen-1-yl) sulfite
CID 57254590
1,2-dimethylnaphthalene;ethane
CID 90922397
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
2-methyl-1-phosphorosonaphthalene
CID 175490061
2-(2-methylnaphthalen-1-yl)ethynyl-tri(propan-2-yl)-λ4-sulfane
CID 170210781
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026
3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid
CID 81432803
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylsulfinylnaphthalene?
The IUPAC name of 2-methyl-1-propan-2-ylsulfinylnaphthalene (CID 15653775) is 2-methyl-1-propan-2-ylsulfinylnaphthalene.
What is the SMILES notation for 2-methyl-1-propan-2-ylsulfinylnaphthalene?
The canonical SMILES for 2-methyl-1-propan-2-ylsulfinylnaphthalene is Cc1ccc2ccccc2c1S(=O)C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylsulfinylnaphthalene?
The InChIKey is YQGPTFQHHOIYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10(2)16(15)14-11(3)8-9-12-6-4-5-7-13(12)14/h4-10H,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylsulfinylnaphthalene?
2-methyl-1-propan-2-ylsulfinylnaphthalene has a molecular weight of 232.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylsulfinylnaphthalene is sourced from PubChem (CID 15653775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).