(Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol

C5H11NOS2 — CID 129074244

IUPAC(Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol
SMILESCCC(O)/C=C(/S)SN
InChIInChI=1S/C5H11NOS2/c1-2-4(7)3-5(8)9-6/h3-4,7-8H,2,6H2,1H3/b5-3-
InChIKeyONHGFUDAAMSTDS-HYXAFXHYSA-N
MW165.28 g/mol
LogP1.14
Rot. Bonds3

About (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol

(Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol (PubChem CID 129074244) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol
PubChem CID129074244
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC Name(Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol
SMILESCCC(O)/C=C(/S)SN
InChIInChI=1S/C5H11NOS2/c1-2-4(7)3-5(8)9-6/h3-4,7-8H,2,6H2,1H3/b5-3-
InChIKeyONHGFUDAAMSTDS-HYXAFXHYSA-N
XLogP1.14
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxypent-1-ene-1,3-diol
CID 162291132
acetaldehyde;2-hydroxybutanal
CID 126485500
2-hydroxybutanal;silane;hydrate
CID 174946258
(E)-2-amino-4-hydroxy-N-methylhex-2-enamide
CID 129065551
2-hydroxybutanethial
CID 14141721
(E)-hex-4-en-3-ol
CID 5366234
(Z)-1-(dimethylamino)-1-(2-methylprop-2-enylsulfanyl)pent-1-en-3-ol
CID 11830854
(E,3R)-hept-4-en-3-ol
CID 11007865
(Z)-5-methylundec-4-en-6-yn-3-ol
CID 10511599
1-aminopropan-1-ol;hydrochloride
CID 18547293
ethanamine;propane-1,1-diol
CID 90422212
N,2-dihydroxybutan-1-imine oxide
CID 22000526

Frequently Asked Questions

What is the IUPAC name of (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol?
The IUPAC name of (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol (CID 129074244) is (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol?
The canonical SMILES for (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol is CCC(O)/C=C(/S)SN.
What is the InChIKey of (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol?
The InChIKey is ONHGFUDAAMSTDS-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H11NOS2/c1-2-4(7)3-5(8)9-6/h3-4,7-8H,2,6H2,1H3/b5-3-.
What are the key properties of (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol?
(Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol has a molecular weight of 165.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-aminosulfanyl-1-sulfanylpent-1-en-3-ol is sourced from PubChem (CID 129074244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).