S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane

C10H23NS — CID 144671921

IUPACS-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane
SMILESCC.CC/C(SN)=C(/C)C(C)C
InChIInChI=1S/C8H17NS.C2H6/c1-5-8(10-9)7(4)6(2)3;1-2/h6H,5,9H2,1-4H3;1-2H3/b8-7+;
InChIKeyAHJYSZYBAYNFSM-USRGLUTNSA-N
MW189.37 g/mol
LogP3.96
Rot. Bonds3

About S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane

S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane (PubChem CID 144671921) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane.

Molecular Properties

Compound NameS-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane
PubChem CID144671921
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameS-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane
SMILESCC.CC/C(SN)=C(/C)C(C)C
InChIInChI=1S/C8H17NS.C2H6/c1-5-8(10-9)7(4)6(2)3;1-2/h6H,5,9H2,1-4H3;1-2H3/b8-7+;
InChIKeyAHJYSZYBAYNFSM-USRGLUTNSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
2,3,4-trimethylpent-2-ene
CID 11270
butan-2-one;ethane;2-methylpropane
CID 145444223
(3E)-3,4-dimethylhexa-1,3-dien-2-ol;ethane;2,3,4-trimethylpent-2-ene
CID 144527339
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
S-[(E)-2-methyl-4-propan-2-ylhept-3-en-3-yl]thiohydroxylamine
CID 126704776
(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine
CID 155349088
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
2,3,4-trimethyloct-3-ene
CID 123315350
S-(2,3-dimethylbut-3-enyl)thiohydroxylamine
CID 155008236
2-ethoxy-3,4-dimethylpent-2-enoic acid
CID 87806016

Frequently Asked Questions

What is the IUPAC name of S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane?
The IUPAC name of S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane (CID 144671921) is S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane.
What is the SMILES notation for S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane?
The canonical SMILES for S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane is CC.CC/C(SN)=C(/C)C(C)C.
What is the InChIKey of S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane?
The InChIKey is AHJYSZYBAYNFSM-USRGLUTNSA-N. The full InChI is InChI=1S/C8H17NS.C2H6/c1-5-8(10-9)7(4)6(2)3;1-2/h6H,5,9H2,1-4H3;1-2H3/b8-7+;.
What are the key properties of S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane?
S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane has a molecular weight of 189.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-4,5-dimethylhex-3-en-3-yl]thiohydroxylamine;ethane is sourced from PubChem (CID 144671921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).