4-[(1R)-1-methoxyethyl]benzenethiol

C9H12OS — CID 124500513

IUPAC4-[(1R)-1-methoxyethyl]benzenethiol
SMILESCO[C@H](C)c1ccc(S)cc1
InChIInChI=1S/C9H12OS/c1-7(10-2)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3/t7-/m1/s1
InChIKeySQQRVGKNJSYSJO-SSDOTTSWSA-N
MW168.26 g/mol
LogP2.68
Rot. Bonds2

About 4-[(1R)-1-methoxyethyl]benzenethiol

4-[(1R)-1-methoxyethyl]benzenethiol (PubChem CID 124500513) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-[(1R)-1-methoxyethyl]benzenethiol.

Molecular Properties

Compound Name4-[(1R)-1-methoxyethyl]benzenethiol
PubChem CID124500513
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name4-[(1R)-1-methoxyethyl]benzenethiol
SMILESCO[C@H](C)c1ccc(S)cc1
InChIInChI=1S/C9H12OS/c1-7(10-2)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3/t7-/m1/s1
InChIKeySQQRVGKNJSYSJO-SSDOTTSWSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.68
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

1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
2-amino-1-[4-(1-methoxyethyl)phenyl]ethanol
CID 117285517
[4-(1-methoxyethyl)phenyl]-diphenylbismuthane
CID 167627453
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
[4-(1-methoxyethyl)phenyl] methanesulfonate
CID 87297975
2-methyl-1-(4-sulfanylphenyl)propan-1-ol
CID 123891512
1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
CID 124500314

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-methoxyethyl]benzenethiol?
The IUPAC name of 4-[(1R)-1-methoxyethyl]benzenethiol (CID 124500513) is 4-[(1R)-1-methoxyethyl]benzenethiol.
What is the SMILES notation for 4-[(1R)-1-methoxyethyl]benzenethiol?
The canonical SMILES for 4-[(1R)-1-methoxyethyl]benzenethiol is CO[C@H](C)c1ccc(S)cc1.
What is the InChIKey of 4-[(1R)-1-methoxyethyl]benzenethiol?
The InChIKey is SQQRVGKNJSYSJO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12OS/c1-7(10-2)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-methoxyethyl]benzenethiol?
4-[(1R)-1-methoxyethyl]benzenethiol has a molecular weight of 168.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-methoxyethyl]benzenethiol is sourced from PubChem (CID 124500513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).