S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine

C9H19NOS — CID 142444386

IUPACS-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine
SMILESC=CCC(C)C(CCOC)SN
InChIInChI=1S/C9H19NOS/c1-4-5-8(2)9(12-10)6-7-11-3/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyWNAHSUHTDMZCII-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.21
Rot. Bonds7

About S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine

S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine (PubChem CID 142444386) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine
PubChem CID142444386
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameS-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine
SMILESC=CCC(C)C(CCOC)SN
InChIInChI=1S/C9H19NOS/c1-4-5-8(2)9(12-10)6-7-11-3/h4,8-9H,1,5-7,10H2,2-3H3
InChIKeyWNAHSUHTDMZCII-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine?
The IUPAC name of S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine (CID 142444386) is S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine.
What is the SMILES notation for S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine?
The canonical SMILES for S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine is C=CCC(C)C(CCOC)SN.
What is the InChIKey of S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine?
The InChIKey is WNAHSUHTDMZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-5-8(2)9(12-10)6-7-11-3/h4,8-9H,1,5-7,10H2,2-3H3.
What are the key properties of S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine?
S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine has a molecular weight of 189.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-methoxy-4-methylhept-6-en-3-yl)thiohydroxylamine is sourced from PubChem (CID 142444386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).