N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride

C8H22ClNS — CID 19020843

IUPACN,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride
SMILESCC.CC(C)N(S)C(C)C.Cl
InChIInChI=1S/C6H15NS.C2H6.ClH/c1-5(2)7(8)6(3)4;1-2;/h5-6,8H,1-4H3;1-2H3;1H
InChIKeyUAYJTWVUQMATJJ-UHFFFAOYSA-N
MW199.79 g/mol
LogP3.40
Rot. Bonds2

About N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride

N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride (PubChem CID 19020843) has the molecular formula C8H22ClNS and a molecular weight of 199.79 g/mol. Its IUPAC name is N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride.

Molecular Properties

Compound NameN,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride
PubChem CID19020843
Molecular FormulaC8H22ClNS
Molecular Weight199.79 g/mol
Exact Mass199.12
IUPAC NameN,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride
SMILESCC.CC(C)N(S)C(C)C.Cl
InChIInChI=1S/C6H15NS.C2H6.ClH/c1-5(2)7(8)6(3)4;1-2;/h5-6,8H,1-4H3;1-2H3;1H
InChIKeyUAYJTWVUQMATJJ-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride?
The IUPAC name of N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride (CID 19020843) is N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride.
What is the SMILES notation for N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride?
The canonical SMILES for N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride is CC.CC(C)N(S)C(C)C.Cl.
What is the InChIKey of N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride?
The InChIKey is UAYJTWVUQMATJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.C2H6.ClH/c1-5(2)7(8)6(3)4;1-2;/h5-6,8H,1-4H3;1-2H3;1H.
What are the key properties of N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride?
N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride has a molecular weight of 199.79 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)thiohydroxylamine;ethane;hydrochloride is sourced from PubChem (CID 19020843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).