(4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane

C16H20OS — CID 123876430

IUPAC(4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane
SMILESC=c1c(OC)c2ccccc2c(S(C)(C)C)c1=C
InChIInChI=1S/C16H20OS/c1-11-12(2)16(18(4,5)6)14-10-8-7-9-13(14)15(11)17-3/h7-10H,1-2H2,3-6H3
InChIKeySIVUWKUJXQXRBF-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.72
Rot. Bonds2

About (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane

(4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane (PubChem CID 123876430) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane
PubChem CID123876430
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name(4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane
SMILESC=c1c(OC)c2ccccc2c(S(C)(C)C)c1=C
InChIInChI=1S/C16H20OS/c1-11-12(2)16(18(4,5)6)14-10-8-7-9-13(14)15(11)17-3/h7-10H,1-2H2,3-6H3
InChIKeySIVUWKUJXQXRBF-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5H-thiochromen-3-yl)-5H-chromene
CID 91047660
(2,4-Dimethoxy-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-trimethyl-lambda4-sulfane
CID 123763747
1-(4-Methoxy-2,3-dihydronaphthalen-1-yl)-1-methylthiolane
CID 123814067
[(6E)-2,4-dimethoxy-6-[(Z)-pent-2-enylidene]cyclohexa-1,3-dien-1-yl]-trimethyl-lambda4-sulfane
CID 126692513
1-[(9S)-7,11-dimethoxy-9-methyl-9H-cyclohepta[b]naphthalen-5-yl]-1-methylthiolane
CID 126692651
1-(4-Methoxy-6,7-dihydronaphthalen-1-yl)thiolan-1-ium
CID 140711598
(4-Butoxy-6,7-dihydronaphthalen-1-yl)-diethylsulfanium
CID 144113289
6-Methoxy-7-methylsulfanyl-2,3-dihydronaphthalene
CID 144526908
cyclohexa-1,5-dien-1-yl-cyclohexa-2,4-dien-1-yl-[(3Z,5Z)-5-methoxy-4-methylhepta-1,3,5-trien-2-yl]sulfanium
CID 176774457
Ethane;3-ethyl-4-methylsulfanyl-7-propan-2-yl-2,6-dihydrochromen-6-ide;vanadium
CID 176920152

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane (CID 123876430) is (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane is C=c1c(OC)c2ccccc2c(S(C)(C)C)c1=C.
What is the InChIKey of (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane?
The InChIKey is SIVUWKUJXQXRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-11-12(2)16(18(4,5)6)14-10-8-7-9-13(14)15(11)17-3/h7-10H,1-2H2,3-6H3.
What are the key properties of (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane?
(4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane has a molecular weight of 260.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3-dimethylidenenaphthalen-1-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 123876430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).