S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine

C8H15NS — CID 139480669

IUPACS-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine
SMILESC/C=C\C=C(/SN)C(C)C
InChIInChI=1S/C8H15NS/c1-4-5-6-8(10-9)7(2)3/h4-7H,9H2,1-3H3/b5-4-,8-6-
InChIKeyFAGPANAESYBVIQ-NADLECRISA-N
MW157.28 g/mol
LogP2.71
Rot. Bonds3

About S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine

S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine (PubChem CID 139480669) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine
PubChem CID139480669
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameS-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine
SMILESC/C=C\C=C(/SN)C(C)C
InChIInChI=1S/C8H15NS/c1-4-5-6-8(10-9)7(2)3/h4-7H,9H2,1-3H3/b5-4-,8-6-
InChIKeyFAGPANAESYBVIQ-NADLECRISA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine?
The IUPAC name of S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine (CID 139480669) is S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine.
What is the SMILES notation for S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine?
The canonical SMILES for S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine is C/C=C\C=C(/SN)C(C)C.
What is the InChIKey of S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine?
The InChIKey is FAGPANAESYBVIQ-NADLECRISA-N. The full InChI is InChI=1S/C8H15NS/c1-4-5-6-8(10-9)7(2)3/h4-7H,9H2,1-3H3/b5-4-,8-6-.
What are the key properties of S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine?
S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine has a molecular weight of 157.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]thiohydroxylamine is sourced from PubChem (CID 139480669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).