thiohydroxylamine;thiolane

C4H11NS2 — CID 164525023

IUPACthiohydroxylamine;thiolane
SMILESC1CCSC1.NS
InChIInChI=1S/C4H8S.H3NS/c1-2-4-5-3-1;1-2/h1-4H2;2H,1H2
InChIKeyGFLPIXGRZCXMOR-UHFFFAOYSA-N
MW137.27 g/mol
LogP1.30
Rot. Bonds

About thiohydroxylamine;thiolane

thiohydroxylamine;thiolane (PubChem CID 164525023) has the molecular formula C4H11NS2 and a molecular weight of 137.27 g/mol. Its IUPAC name is thiohydroxylamine;thiolane.

Molecular Properties

Compound Namethiohydroxylamine;thiolane
PubChem CID164525023
Molecular FormulaC4H11NS2
Molecular Weight137.27 g/mol
Exact Mass137.03
IUPAC Namethiohydroxylamine;thiolane
SMILESC1CCSC1.NS
InChIInChI=1S/C4H8S.H3NS/c1-2-4-5-3-1;1-2/h1-4H2;2H,1H2
InChIKeyGFLPIXGRZCXMOR-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

thiane
CID 70180368
thiacyclotridecane
CID 12543972
thiacyclononacosane
CID 68502335
gold;thiolane
CID 87289980
azane;thiane
CID 175911384
CID 175695265
CID 175695265
thiane;thietane;thiirane;thiolane
CID 161072943
1,5-dithiocane
CID 5259509
1,4,8-trithiacyclotetradecane
CID 21459618
lithium;hydride;thiane
CID 173428733
formamide;thiane
CID 174918643
dioxotitanium;thiolane
CID 174292594

Frequently Asked Questions

What is the IUPAC name of thiohydroxylamine;thiolane?
The IUPAC name of thiohydroxylamine;thiolane (CID 164525023) is thiohydroxylamine;thiolane.
What is the SMILES notation for thiohydroxylamine;thiolane?
The canonical SMILES for thiohydroxylamine;thiolane is C1CCSC1.NS.
What is the InChIKey of thiohydroxylamine;thiolane?
The InChIKey is GFLPIXGRZCXMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.H3NS/c1-2-4-5-3-1;1-2/h1-4H2;2H,1H2.
What are the key properties of thiohydroxylamine;thiolane?
thiohydroxylamine;thiolane has a molecular weight of 137.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiohydroxylamine;thiolane is sourced from PubChem (CID 164525023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).