sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride

C64H73Cl3FN2NaO7S3 — CID 160572961

IUPACsodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride
SMILESCN(C)CC[C@@H](O)c1cccs1.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.COCCOCCOCCOc1ccc(Cl)c2ccccc12.Cl.Fc1cccc2ccccc12.Oc1ccc(Cl)c2ccccc12.S.[H-].[Na+]
InChIInChI=1S/C18H19NOS.C17H21ClO4.C10H7ClO.C10H7F.C9H15NOS.ClH.Na.H2S.H/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;1-19-8-9-20-10-11-21-12-13-22-17-7-6-16(18)14-4-2-3-5-15(14)17;11-9-5-6-10(12)8-4-2-1-3-7(8)9;11-10-7-3-5-8-4-1-2-6-9(8)10;1-10(2)6-5-8(11)9-4-3-7-12-9;;;;/h2-10,13,17,19H,11-12H2,1H3;2-7H,8-13H2,1H3;1-6,12H;1-7H;3-4,7-8,11H,5-6H2,1-2H3;1H;;1H2;/q;;;;;;+1;;-1/t17-;;;;8-;;;;/m0...1..../s1
InChIKeyYZHNNMKHFUSQBO-YFQXYBRWSA-N
MW1226.84 g/mol
LogP13.74
Rot. Bonds20

About sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride

sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride (PubChem CID 160572961) has the molecular formula C64H73Cl3FN2NaO7S3 and a molecular weight of 1226.84 g/mol. Its IUPAC name is sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride.

Molecular Properties

Compound Namesodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride
PubChem CID160572961
Molecular FormulaC64H73Cl3FN2NaO7S3
Molecular Weight1226.84 g/mol
Exact Mass1224.35
IUPAC Namesodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride
SMILESCN(C)CC[C@@H](O)c1cccs1.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.COCCOCCOCCOc1ccc(Cl)c2ccccc12.Cl.Fc1cccc2ccccc12.Oc1ccc(Cl)c2ccccc12.S.[H-].[Na+]
InChIInChI=1S/C18H19NOS.C17H21ClO4.C10H7ClO.C10H7F.C9H15NOS.ClH.Na.H2S.H/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;1-19-8-9-20-10-11-21-12-13-22-17-7-6-16(18)14-4-2-3-5-15(14)17;11-9-5-6-10(12)8-4-2-1-3-7(8)9;11-10-7-3-5-8-4-1-2-6-9(8)10;1-10(2)6-5-8(11)9-4-3-7-12-9;;;;/h2-10,13,17,19H,11-12H2,1H3;2-7H,8-13H2,1H3;1-6,12H;1-7H;3-4,7-8,11H,5-6H2,1-2H3;1H;;1H2;/q;;;;;;+1;;-1/t17-;;;;8-;;;;/m0...1..../s1
InChIKeyYZHNNMKHFUSQBO-YFQXYBRWSA-N
XLogP13.74
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.84
LogP ≤ 513.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride?
The IUPAC name of sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride (CID 160572961) is sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride.
What is the SMILES notation for sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride?
The canonical SMILES for sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride is CN(C)CC[C@@H](O)c1cccs1.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.COCCOCCOCCOc1ccc(Cl)c2ccccc12.Cl.Fc1cccc2ccccc12.Oc1ccc(Cl)c2ccccc12.S.[H-].[Na+].
What is the InChIKey of sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride?
The InChIKey is YZHNNMKHFUSQBO-YFQXYBRWSA-N. The full InChI is InChI=1S/C18H19NOS.C17H21ClO4.C10H7ClO.C10H7F.C9H15NOS.ClH.Na.H2S.H/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;1-19-8-9-20-10-11-21-12-13-22-17-7-6-16(18)14-4-2-3-5-15(14)17;11-9-5-6-10(12)8-4-2-1-3-7(8)9;11-10-7-3-5-8-4-1-2-6-9(8)10;1-10(2)6-5-8(11)9-4-3-7-12-9;;;;/h2-10,13,17,19H,11-12H2,1H3;2-7H,8-13H2,1H3;1-6,12H;1-7H;3-4,7-8,11H,5-6H2,1-2H3;1H;;1H2;/q;;;;;;+1;;-1/t17-;;;;8-;;;;/m0...1..../s1.
What are the key properties of sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride?
sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride has a molecular weight of 1226.84 g/mol, XLogP of 13.74, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-chloro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]naphthalene;4-chloronaphthalen-1-ol;(1R)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;1-fluoronaphthalene;hydride;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;sulfane;hydrochloride is sourced from PubChem (CID 160572961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).