sodium;3,4-dimethoxybenzenethiol;hydride

C8H11NaO2S — CID 175319936

IUPACsodium;3,4-dimethoxybenzenethiol;hydride
SMILESCOc1ccc(S)cc1OC.[H-].[Na+]
InChIInChI=1S/C8H10O2S.Na.H/c1-9-7-4-3-6(11)5-8(7)10-2;;/h3-5,11H,1-2H3;;/q;+1;-1
InChIKeyCTOWBXSCODHWHN-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.89
Rot. Bonds2

About sodium;3,4-dimethoxybenzenethiol;hydride

sodium;3,4-dimethoxybenzenethiol;hydride (PubChem CID 175319936) has the molecular formula C8H11NaO2S and a molecular weight of 194.23 g/mol. Its IUPAC name is sodium;3,4-dimethoxybenzenethiol;hydride.

Molecular Properties

Compound Namesodium;3,4-dimethoxybenzenethiol;hydride
PubChem CID175319936
Molecular FormulaC8H11NaO2S
Molecular Weight194.23 g/mol
Exact Mass194.04
IUPAC Namesodium;3,4-dimethoxybenzenethiol;hydride
SMILESCOc1ccc(S)cc1OC.[H-].[Na+]
InChIInChI=1S/C8H10O2S.Na.H/c1-9-7-4-3-6(11)5-8(7)10-2;;/h3-5,11H,1-2H3;;/q;+1;-1
InChIKeyCTOWBXSCODHWHN-UHFFFAOYSA-N
XLogP-0.89
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxybenzene-1,4-dithiol
CID 91874397
4-methoxy-3-(2-methylpropoxy)benzenethiol
CID 91656127
4,5-dimethoxy-2-methylbenzenethiol
CID 43626828
2-bromo-N-(3,4-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020368
potassium 3,4-dimethoxyphenolate
CID 23662144
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene
CID 162908621
6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol
CID 15670610
3,4-dipropoxybenzenethiol
CID 28939740
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080

Frequently Asked Questions

What is the IUPAC name of sodium;3,4-dimethoxybenzenethiol;hydride?
The IUPAC name of sodium;3,4-dimethoxybenzenethiol;hydride (CID 175319936) is sodium;3,4-dimethoxybenzenethiol;hydride.
What is the SMILES notation for sodium;3,4-dimethoxybenzenethiol;hydride?
The canonical SMILES for sodium;3,4-dimethoxybenzenethiol;hydride is COc1ccc(S)cc1OC.[H-].[Na+].
What is the InChIKey of sodium;3,4-dimethoxybenzenethiol;hydride?
The InChIKey is CTOWBXSCODHWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.Na.H/c1-9-7-4-3-6(11)5-8(7)10-2;;/h3-5,11H,1-2H3;;/q;+1;-1.
What are the key properties of sodium;3,4-dimethoxybenzenethiol;hydride?
sodium;3,4-dimethoxybenzenethiol;hydride has a molecular weight of 194.23 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,4-dimethoxybenzenethiol;hydride is sourced from PubChem (CID 175319936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).