S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine

C5H11NOS2 — CID 174567821

IUPACS-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine
SMILESCC1(SN)CSCCO1
InChIInChI=1S/C5H11NOS2/c1-5(9-6)4-8-3-2-7-5/h2-4,6H2,1H3
InChIKeySJLIDRBZALKBFT-UHFFFAOYSA-N
MW165.28 g/mol
LogP1.07
Rot. Bonds1

About S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine

S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine (PubChem CID 174567821) has the molecular formula C5H11NOS2 and a molecular weight of 165.28 g/mol. Its IUPAC name is S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine
PubChem CID174567821
Molecular FormulaC5H11NOS2
Molecular Weight165.28 g/mol
Exact Mass165.03
IUPAC NameS-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine
SMILESCC1(SN)CSCCO1
InChIInChI=1S/C5H11NOS2/c1-5(9-6)4-8-3-2-7-5/h2-4,6H2,1H3
InChIKeySJLIDRBZALKBFT-UHFFFAOYSA-N
XLogP1.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1,4-oxathian-2-yl)methanamine
CID 155821418
(2-methyl-1,4-oxathian-2-yl) prop-2-enoate
CID 58183483
(2S)-2-tert-butyl-2-methyl-1,3-oxathiolane
CID 637784
2,2-dimethyl-1,4-oxathian-3-ol
CID 58183622
3-methyl-3-methylsulfanylthiolane
CID 167310175
2-(2-methyl-1,3-oxathiolan-2-yl)ethanethiol
CID 53230318
N-(3-methylthiolan-3-yl)acetamide
CID 129016909
ethane;methane;3-methylthiane-3-carbonitrile
CID 142565790
ethane;3,3,4-trimethylthiane
CID 144627072
[1-[(2-methyl-1,4-oxathiepan-2-yl)oxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 59638153
(5R,9R)-9-methyl-1-oxa-4-thiaspiro[4.4]nonan-9-ol
CID 15370555
2-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)ethanamine
CID 79905629

Frequently Asked Questions

What is the IUPAC name of S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine?
The IUPAC name of S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine (CID 174567821) is S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine?
The canonical SMILES for S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine is CC1(SN)CSCCO1.
What is the InChIKey of S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine?
The InChIKey is SJLIDRBZALKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS2/c1-5(9-6)4-8-3-2-7-5/h2-4,6H2,1H3.
What are the key properties of S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine?
S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine has a molecular weight of 165.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methyl-1,4-oxathian-2-yl)thiohydroxylamine is sourced from PubChem (CID 174567821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).