sodium;hydride;4-propoxybenzenethiol

C9H13NaOS — CID 175496916

IUPACsodium;hydride;4-propoxybenzenethiol
SMILESCCCOc1ccc(S)cc1.[H-].[Na+]
InChIInChI=1S/C9H12OS.Na.H/c1-2-7-10-8-3-5-9(11)6-4-8;;/h3-6,11H,2,7H2,1H3;;/q;+1;-1
InChIKeyYIPWWKSTCHIGTN-UHFFFAOYSA-N
MW192.26 g/mol
LogP-0.12
Rot. Bonds3

About sodium;hydride;4-propoxybenzenethiol

sodium;hydride;4-propoxybenzenethiol (PubChem CID 175496916) has the molecular formula C9H13NaOS and a molecular weight of 192.26 g/mol. Its IUPAC name is sodium;hydride;4-propoxybenzenethiol.

Molecular Properties

Compound Namesodium;hydride;4-propoxybenzenethiol
PubChem CID175496916
Molecular FormulaC9H13NaOS
Molecular Weight192.26 g/mol
Exact Mass192.06
IUPAC Namesodium;hydride;4-propoxybenzenethiol
SMILESCCCOc1ccc(S)cc1.[H-].[Na+]
InChIInChI=1S/C9H12OS.Na.H/c1-2-7-10-8-3-5-9(11)6-4-8;;/h3-6,11H,2,7H2,1H3;;/q;+1;-1
InChIKeyYIPWWKSTCHIGTN-UHFFFAOYSA-N
XLogP-0.12
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 57452703
CID 57452703
4-[2-(4-sulfanylphenoxy)ethoxy]benzenethiol
CID 23290224
4-(4-hexoxyphenyl)benzenethiol
CID 70387562
4-(4-heptoxyphenyl)benzenethiol
CID 70387971
pentakis(4-[2-(4-heptoxyphenyl)ethynyl]benzenethiol);pentahydrofluoride
CID 173376409
N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028237
CID 57451037
CID 57451037
pentakis(4-[2-(4-hexoxyphenyl)ethyl]benzenethiol);pentahydrofluoride
CID 173376407
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
triethyl-[5-(4-sulfanylphenoxy)pentyl]azanium
CID 141271617
dioxido-(4-propoxyphenoxy)borane
CID 86756777

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-propoxybenzenethiol?
The IUPAC name of sodium;hydride;4-propoxybenzenethiol (CID 175496916) is sodium;hydride;4-propoxybenzenethiol.
What is the SMILES notation for sodium;hydride;4-propoxybenzenethiol?
The canonical SMILES for sodium;hydride;4-propoxybenzenethiol is CCCOc1ccc(S)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-propoxybenzenethiol?
The InChIKey is YIPWWKSTCHIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS.Na.H/c1-2-7-10-8-3-5-9(11)6-4-8;;/h3-6,11H,2,7H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;4-propoxybenzenethiol?
sodium;hydride;4-propoxybenzenethiol has a molecular weight of 192.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-propoxybenzenethiol is sourced from PubChem (CID 175496916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).