S-(2,3-dimethylbut-3-enyl)thiohydroxylamine

C6H13NS — CID 155008236

IUPACS-(2,3-dimethylbut-3-enyl)thiohydroxylamine
SMILESC=C(C)C(C)CSN
InChIInChI=1S/C6H13NS/c1-5(2)6(3)4-8-7/h6H,1,4,7H2,2-3H3
InChIKeySVCUPIJQYNIMNE-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.81
Rot. Bonds3

About S-(2,3-dimethylbut-3-enyl)thiohydroxylamine

S-(2,3-dimethylbut-3-enyl)thiohydroxylamine (PubChem CID 155008236) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is S-(2,3-dimethylbut-3-enyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2,3-dimethylbut-3-enyl)thiohydroxylamine
PubChem CID155008236
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameS-(2,3-dimethylbut-3-enyl)thiohydroxylamine
SMILESC=C(C)C(C)CSN
InChIInChI=1S/C6H13NS/c1-5(2)6(3)4-8-7/h6H,1,4,7H2,2-3H3
InChIKeySVCUPIJQYNIMNE-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylpent-1-ene;ethane
CID 143286891
3,4-dimethylpent-4-en-1-ol
CID 14417455
2,3,5,7,8-pentamethylnon-1-ene
CID 177053825
2-amino-4,5-dimethylhex-5-en-2-ol
CID 138459960
2,3,7-trimethyloct-1-ene
CID 123245102
ethyl 3,4-dimethylpent-4-enoate
CID 14786682
S-[(2R)-2-methylbutyl]thiohydroxylamine
CID 166670432
2-(4,5-dimethylhexa-1,5-dien-2-yloxy)ethyl-ethyl-dimethylazanium
CID 91361120
2-methylpropane;prop-1-en-2-amine
CID 174893746
2,3,5,8-tetramethylnon-1-ene
CID 123958758
2,3,8-trimethylnona-1,8-diene
CID 155711646
(1-tert-butylsulfanyl-3-methylbut-3-en-2-yl)hydrazine
CID 105226584

Frequently Asked Questions

What is the IUPAC name of S-(2,3-dimethylbut-3-enyl)thiohydroxylamine?
The IUPAC name of S-(2,3-dimethylbut-3-enyl)thiohydroxylamine (CID 155008236) is S-(2,3-dimethylbut-3-enyl)thiohydroxylamine.
What is the SMILES notation for S-(2,3-dimethylbut-3-enyl)thiohydroxylamine?
The canonical SMILES for S-(2,3-dimethylbut-3-enyl)thiohydroxylamine is C=C(C)C(C)CSN.
What is the InChIKey of S-(2,3-dimethylbut-3-enyl)thiohydroxylamine?
The InChIKey is SVCUPIJQYNIMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5(2)6(3)4-8-7/h6H,1,4,7H2,2-3H3.
What are the key properties of S-(2,3-dimethylbut-3-enyl)thiohydroxylamine?
S-(2,3-dimethylbut-3-enyl)thiohydroxylamine has a molecular weight of 131.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2,3-dimethylbut-3-enyl)thiohydroxylamine is sourced from PubChem (CID 155008236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).