S-(2-methyloct-3-en-2-yl)thiohydroxylamine

C9H19NS — CID 150426317

IUPACS-(2-methyloct-3-en-2-yl)thiohydroxylamine
SMILESCCCCC=CC(C)(C)SN
InChIInChI=1S/C9H19NS/c1-4-5-6-7-8-9(2,3)11-10/h7-8H,4-6,10H2,1-3H3
InChIKeyHIVHSMLTXUBCFT-UHFFFAOYSA-N
MW173.32 g/mol
LogP3.12
Rot. Bonds5

About S-(2-methyloct-3-en-2-yl)thiohydroxylamine

S-(2-methyloct-3-en-2-yl)thiohydroxylamine (PubChem CID 150426317) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is S-(2-methyloct-3-en-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-methyloct-3-en-2-yl)thiohydroxylamine
PubChem CID150426317
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameS-(2-methyloct-3-en-2-yl)thiohydroxylamine
SMILESCCCCC=CC(C)(C)SN
InChIInChI=1S/C9H19NS/c1-4-5-6-7-8-9(2,3)11-10/h7-8H,4-6,10H2,1-3H3
InChIKeyHIVHSMLTXUBCFT-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluorohept-2-ene
CID 2782636
2,2-dimethyloct-3-enethial
CID 154411834
(E)-2,2-dimethyloct-3-enoic acid
CID 18786053
dec-5-ene;trihydrobromide
CID 175802238
(E)-10,10-dimethylundec-5-ene
CID 142794628
(E)-hept-2-en-1-amine
CID 10779517
(Z)-dec-5-ene;hex-1-ene
CID 141304086
(Z)-3,3-dimethylnon-4-enoate
CID 90487568
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596

Frequently Asked Questions

What is the IUPAC name of S-(2-methyloct-3-en-2-yl)thiohydroxylamine?
The IUPAC name of S-(2-methyloct-3-en-2-yl)thiohydroxylamine (CID 150426317) is S-(2-methyloct-3-en-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(2-methyloct-3-en-2-yl)thiohydroxylamine?
The canonical SMILES for S-(2-methyloct-3-en-2-yl)thiohydroxylamine is CCCCC=CC(C)(C)SN.
What is the InChIKey of S-(2-methyloct-3-en-2-yl)thiohydroxylamine?
The InChIKey is HIVHSMLTXUBCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-6-7-8-9(2,3)11-10/h7-8H,4-6,10H2,1-3H3.
What are the key properties of S-(2-methyloct-3-en-2-yl)thiohydroxylamine?
S-(2-methyloct-3-en-2-yl)thiohydroxylamine has a molecular weight of 173.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methyloct-3-en-2-yl)thiohydroxylamine is sourced from PubChem (CID 150426317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).