4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione

C8H15NOS2 — CID 139230873

IUPAC4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione
SMILESCCCN1C(=S)SC(C)CC1O
InChIInChI=1S/C8H15NOS2/c1-3-4-9-7(10)5-6(2)12-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKeyBMZQCTVUTPOGQF-UHFFFAOYSA-N
MW205.35 g/mol
LogP1.83
Rot. Bonds2

About 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione

4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione (PubChem CID 139230873) has the molecular formula C8H15NOS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione
PubChem CID139230873
Molecular FormulaC8H15NOS2
Molecular Weight205.35 g/mol
Exact Mass205.06
IUPAC Name4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione
SMILESCCCN1C(=S)SC(C)CC1O
InChIInChI=1S/C8H15NOS2/c1-3-4-9-7(10)5-6(2)12-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKeyBMZQCTVUTPOGQF-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Butyl-4-hydroxy-6-methyl-1,3-thiazinane-2-thione
CID 139230875
Hydroxyethyldibutyldithiocarbamate
CID 162787581
4-[(Diethylcarbamothioyl)sulfanyl]butan-1-ol
CID 122164068
2-Hydroxypropyl piperidine-1-carbodithioate
CID 10889415
3-hydroxypropyl N,N-diethylcarbamodithioate
CID 16726125
3-hydroxypropyl N,N-dibutylcarbamodithioate
CID 58858695
(2-Hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate
CID 10945350
2-Hydroxybutyl piperidine-1-carbodithioate
CID 71421722
6-Hydroxyhexyl piperidine-1-carbodithioate
CID 71677705
2-Hydroxyethyl piperidine-1-carbodithioate
CID 71677734
[(2R)-3-hydroxy-2-methylpropyl] piperidine-1-carbodithioate
CID 71677735
3-Hydroxypropyl piperidine-1-carbodithioate
CID 71677736

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione?
The IUPAC name of 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione (CID 139230873) is 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione.
What is the SMILES notation for 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione?
The canonical SMILES for 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione is CCCN1C(=S)SC(C)CC1O.
What is the InChIKey of 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione?
The InChIKey is BMZQCTVUTPOGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS2/c1-3-4-9-7(10)5-6(2)12-8(9)11/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione?
4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione has a molecular weight of 205.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione is sourced from PubChem (CID 139230873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).