(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

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Related Compounds

6-(Methylthio)hexa-1,5-dien-3-ol
CID 5368094
1-(Thiiran-2-yl)prop-2-en-1-ol
CID 10011878
4-Hydroxythiopyran, 2,3-dihydro-
CID 560299
(Z)-1,2-bis(methylsulfanyl)pent-1-en-3-ol
CID 11309862
Methyl 3-hydroxy-4-methylpent-4-enedithioate
CID 14709574
5-(Methylsulfanyl)pent-1-en-3-ol
CID 46866736
2-Methylidenethiolan-3-ol
CID 59525187
1-Methylsulfanylpent-4-en-2-ol
CID 62693386
1-(1,3-Dithiolan-4-yl)prop-2-en-1-ol
CID 88814800
5-Methylsulfanylpent-1-ene-2,3-diol
CID 89172226
3-Ethenylsulfanylbut-3-en-2-ol
CID 123545678
2-Ethenylsulfanylhex-1-en-3-ol
CID 143714376

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).