1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol

C8H14N2OS — CID 21423856

IUPAC1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol
SMILESCCSCC(O)Cn1ccnc1
InChIInChI=1S/C8H14N2OS/c1-2-12-6-8(11)5-10-4-3-9-7-10/h3-4,7-8,11H,2,5-6H2,1H3
InChIKeySMXPOOBDMSBJMP-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.00
Rot. Bonds5

About 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol

1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol (PubChem CID 21423856) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol
PubChem CID21423856
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol
SMILESCCSCC(O)Cn1ccnc1
InChIInChI=1S/C8H14N2OS/c1-2-12-6-8(11)5-10-4-3-9-7-10/h3-4,7-8,11H,2,5-6H2,1H3
InChIKeySMXPOOBDMSBJMP-UHFFFAOYSA-N
XLogP1.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol (CID 21423856) is 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol is CCSCC(O)Cn1ccnc1.
What is the InChIKey of 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The InChIKey is SMXPOOBDMSBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-12-6-8(11)5-10-4-3-9-7-10/h3-4,7-8,11H,2,5-6H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol?
1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 21423856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).