1-(2-sulfanylphenyl)propan-1-ol

C9H12OS — CID 173402717

IUPAC1-(2-sulfanylphenyl)propan-1-ol
SMILESCCC(O)c1ccccc1S
InChIInChI=1S/C9H12OS/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,10-11H,2H2,1H3
InChIKeyUFEIYNCGERNFDP-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.42
Rot. Bonds2

About 1-(2-sulfanylphenyl)propan-1-ol

1-(2-sulfanylphenyl)propan-1-ol (PubChem CID 173402717) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(2-sulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-sulfanylphenyl)propan-1-ol
PubChem CID173402717
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-(2-sulfanylphenyl)propan-1-ol
SMILESCCC(O)c1ccccc1S
InChIInChI=1S/C9H12OS/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,10-11H,2H2,1H3
InChIKeyUFEIYNCGERNFDP-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
2-[(1S)-1-aminopropyl]benzenethiol
CID 55292723
2-(1-aminopropyl)benzenethiol
CID 22286714
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
1-[3-amino-2-(1-hydroxypropyl)phenyl]propan-1-ol
CID 23339712
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
(1S)-1-(2-phenylsulfanylphenyl)propan-1-ol
CID 103960694
(1S)-1-(2-tert-butylsulfanylphenyl)propan-1-ol
CID 103960688
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylphenyl)propan-1-ol?
The IUPAC name of 1-(2-sulfanylphenyl)propan-1-ol (CID 173402717) is 1-(2-sulfanylphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-sulfanylphenyl)propan-1-ol?
The canonical SMILES for 1-(2-sulfanylphenyl)propan-1-ol is CCC(O)c1ccccc1S.
What is the InChIKey of 1-(2-sulfanylphenyl)propan-1-ol?
The InChIKey is UFEIYNCGERNFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,10-11H,2H2,1H3.
What are the key properties of 1-(2-sulfanylphenyl)propan-1-ol?
1-(2-sulfanylphenyl)propan-1-ol has a molecular weight of 168.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylphenyl)propan-1-ol is sourced from PubChem (CID 173402717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).