[7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium

C19H24NOS2+ — CID 18343446

IUPAC[7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium
SMILESCSc1ccc(SC2Cc3ccc(O)cc3C(C)(C)C2[NH3+])cc1
InChIInChI=1S/C19H23NOS2/c1-19(2)16-11-13(21)5-4-12(16)10-17(18(19)20)23-15-8-6-14(22-3)7-9-15/h4-9,11,17-18,21H,10,20H2,1-3H3/p+1
InChIKeyBNHNVLNRKKFGTO-UHFFFAOYSA-O
MW346.54 g/mol
LogP3.72
Rot. Bonds3

About [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium

[7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium (PubChem CID 18343446) has the molecular formula C19H24NOS2+ and a molecular weight of 346.54 g/mol. Its IUPAC name is [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium.

Molecular Properties

Compound Name[7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium
PubChem CID18343446
Molecular FormulaC19H24NOS2+
Molecular Weight346.54 g/mol
Exact Mass346.13
IUPAC Name[7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium
SMILESCSc1ccc(SC2Cc3ccc(O)cc3C(C)(C)C2[NH3+])cc1
InChIInChI=1S/C19H23NOS2/c1-19(2)16-11-13(21)5-4-12(16)10-17(18(19)20)23-15-8-6-14(22-3)7-9-15/h4-9,11,17-18,21H,10,20H2,1-3H3/p+1
InChIKeyBNHNVLNRKKFGTO-UHFFFAOYSA-O
XLogP3.72
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium with MolForge

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Related Compounds

[(2S,3R)-7-hydroxy-1,1-dimethyl-3-methylsulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium
CID 59925107
(6R,7R)-7-amino-8,8-dimethyl-6-(4-methylsulfanylphenyl)sulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 70023137
(6R,7R)-7-amino-6-(3-hydroxyphenyl)sulfanyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
CID 70158457
(6S,7S)-8,8-dimethyl-7-(methylamino)-6-methylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 18343364
7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
CID 18343451
7-amino-8,8-dimethyl-6-(2-methylpropylsulfanyl)-6,7-dihydro-5H-naphthalen-2-ol
CID 18343453
2-[(3-amino-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl)sulfanyl]propanamide
CID 18377118
2-[[(2S,3S)-3-amino-6-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-yl]sulfanyl]propanamide;hydrochloride
CID 18343380
(6S,7S)-7-amino-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
CID 66675210
dichlorozirconium;bis(4-methylsulfanylphenol)
CID 174464956
4-methylsulfanylphenol;propan-2-one
CID 158861841
(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol
CID 86733867

Frequently Asked Questions

What is the IUPAC name of [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium?
The IUPAC name of [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium (CID 18343446) is [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium.
What is the SMILES notation for [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium?
The canonical SMILES for [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium is CSc1ccc(SC2Cc3ccc(O)cc3C(C)(C)C2[NH3+])cc1.
What is the InChIKey of [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium?
The InChIKey is BNHNVLNRKKFGTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23NOS2/c1-19(2)16-11-13(21)5-4-12(16)10-17(18(19)20)23-15-8-6-14(22-3)7-9-15/h4-9,11,17-18,21H,10,20H2,1-3H3/p+1.
What are the key properties of [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium?
[7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium has a molecular weight of 346.54 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-hydroxy-1,1-dimethyl-3-(4-methylsulfanylphenyl)sulfanyl-3,4-dihydro-2H-naphthalen-2-yl]azanium is sourced from PubChem (CID 18343446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).