N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine

C6H9NS2 — CID 155439739

IUPACN-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine
SMILESCc1ccsc1CNS
InChIInChI=1S/C6H9NS2/c1-5-2-3-9-6(5)4-7-8/h2-3,7-8H,4H2,1H3
InChIKeyOVLZJRVDWWGCGH-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.99
Rot. Bonds2

About N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine

N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine (PubChem CID 155439739) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine
PubChem CID155439739
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine
SMILESCc1ccsc1CNS
InChIInChI=1S/C6H9NS2/c1-5-2-3-9-6(5)4-7-8/h2-3,7-8H,4H2,1H3
InChIKeyOVLZJRVDWWGCGH-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine (CID 155439739) is N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine is Cc1ccsc1CNS.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine?
The InChIKey is OVLZJRVDWWGCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-5-2-3-9-6(5)4-7-8/h2-3,7-8H,4H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine?
N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine has a molecular weight of 159.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]thiohydroxylamine is sourced from PubChem (CID 155439739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).