sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride

C18H22ClNaOS2-2 — CID 157208227

IUPACsodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride
SMILESCl.S.[CH2-]C[C@H](Oc1cccc2ccccc12)c1cccs1.[CH3-].[H-].[Na+]
InChIInChI=1S/C17H15OS.CH3.ClH.Na.H2S.H/c1-2-15(17-11-6-12-19-17)18-16-10-5-8-13-7-3-4-9-14(13)16;;;;;/h3-12,15H,1-2H2;1H3;1H;;1H2;/q2*-1;;+1;;-1/t15-;;;;;/m0...../s1
InChIKeyYSXRURFJRHYJND-UQGQBRTCSA-N
MW376.95 g/mol
LogP3.35
Rot. Bonds4

About sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride

sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride (PubChem CID 157208227) has the molecular formula C18H22ClNaOS2-2 and a molecular weight of 376.95 g/mol. Its IUPAC name is sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride.

Molecular Properties

Compound Namesodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride
PubChem CID157208227
Molecular FormulaC18H22ClNaOS2-2
Molecular Weight376.95 g/mol
Exact Mass376.07
IUPAC Namesodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride
SMILESCl.S.[CH2-]C[C@H](Oc1cccc2ccccc12)c1cccs1.[CH3-].[H-].[Na+]
InChIInChI=1S/C17H15OS.CH3.ClH.Na.H2S.H/c1-2-15(17-11-6-12-19-17)18-16-10-5-8-13-7-3-4-9-14(13)16;;;;;/h3-12,15H,1-2H2;1H3;1H;;1H2;/q2*-1;;+1;;-1/t15-;;;;;/m0...../s1
InChIKeyYSXRURFJRHYJND-UQGQBRTCSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride?
The IUPAC name of sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride (CID 157208227) is sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride.
What is the SMILES notation for sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride?
The canonical SMILES for sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride is Cl.S.[CH2-]C[C@H](Oc1cccc2ccccc12)c1cccs1.[CH3-].[H-].[Na+].
What is the InChIKey of sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride?
The InChIKey is YSXRURFJRHYJND-UQGQBRTCSA-N. The full InChI is InChI=1S/C17H15OS.CH3.ClH.Na.H2S.H/c1-2-15(17-11-6-12-19-17)18-16-10-5-8-13-7-3-4-9-14(13)16;;;;;/h3-12,15H,1-2H2;1H3;1H;;1H2;/q2*-1;;+1;;-1/t15-;;;;;/m0...../s1.
What are the key properties of sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride?
sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;hydride;2-[(1S)-1-naphthalen-1-yloxypropyl]thiophene;sulfane;hydrochloride is sourced from PubChem (CID 157208227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).