(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol

C7H14OS2 — CID 11355842

IUPAC(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol
SMILES[2H]/C(SC)=C(/SC)C(O)CC
InChIInChI=1S/C7H14OS2/c1-4-6(8)7(10-3)5-9-2/h5-6,8H,4H2,1-3H3/b7-5-/i5D
InChIKeyRQRWSGRUSJXRJY-FJCRMNLCSA-N
MW179.33 g/mol
LogP2.32
Rot. Bonds4

About (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol

(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol (PubChem CID 11355842) has the molecular formula C7H14OS2 and a molecular weight of 179.33 g/mol. Its IUPAC name is (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol
PubChem CID11355842
Molecular FormulaC7H14OS2
Molecular Weight179.33 g/mol
Exact Mass179.05
IUPAC Name(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol
SMILES[2H]/C(SC)=C(/SC)C(O)CC
InChIInChI=1S/C7H14OS2/c1-4-6(8)7(10-3)5-9-2/h5-6,8H,4H2,1-3H3/b7-5-/i5D
InChIKeyRQRWSGRUSJXRJY-FJCRMNLCSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol?
The IUPAC name of (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol (CID 11355842) is (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol.
What is the SMILES notation for (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol?
The canonical SMILES for (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol is [2H]/C(SC)=C(/SC)C(O)CC.
What is the InChIKey of (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol?
The InChIKey is RQRWSGRUSJXRJY-FJCRMNLCSA-N. The full InChI is InChI=1S/C7H14OS2/c1-4-6(8)7(10-3)5-9-2/h5-6,8H,4H2,1-3H3/b7-5-/i5D.
What are the key properties of (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol?
(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol has a molecular weight of 179.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol is sourced from PubChem (CID 11355842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).