(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol

C16H18OS2 — CID 11415071

IUPAC(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol
SMILESOCCCC/C(=C/c1cccs1)Sc1ccccc1
InChIInChI=1S/C16H18OS2/c17-11-5-4-9-16(13-15-10-6-12-18-15)19-14-7-2-1-3-8-14/h1-3,6-8,10,12-13,17H,4-5,9,11H2/b16-13-
InChIKeyRPWZBKKFIVUUDW-SSZFMOIBSA-N
MW290.45 g/mol
LogP5.04
Rot. Bonds7

About (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol

(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol (PubChem CID 11415071) has the molecular formula C16H18OS2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol.

Molecular Properties

Compound Name(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol
PubChem CID11415071
Molecular FormulaC16H18OS2
Molecular Weight290.45 g/mol
Exact Mass290.08
IUPAC Name(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol
SMILESOCCCC/C(=C/c1cccs1)Sc1ccccc1
InChIInChI=1S/C16H18OS2/c17-11-5-4-9-16(13-15-10-6-12-18-15)19-14-7-2-1-3-8-14/h1-3,6-8,10,12-13,17H,4-5,9,11H2/b16-13-
InChIKeyRPWZBKKFIVUUDW-SSZFMOIBSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol?
The IUPAC name of (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol (CID 11415071) is (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol.
What is the SMILES notation for (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol?
The canonical SMILES for (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol is OCCCC/C(=C/c1cccs1)Sc1ccccc1.
What is the InChIKey of (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol?
The InChIKey is RPWZBKKFIVUUDW-SSZFMOIBSA-N. The full InChI is InChI=1S/C16H18OS2/c17-11-5-4-9-16(13-15-10-6-12-18-15)19-14-7-2-1-3-8-14/h1-3,6-8,10,12-13,17H,4-5,9,11H2/b16-13-.
What are the key properties of (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol?
(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol has a molecular weight of 290.45 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol is sourced from PubChem (CID 11415071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).