N-(2-methylthian-3-ylidene)hydroxylamine

C6H11NOS — CID 79954121

IUPACN-(2-methylthian-3-ylidene)hydroxylamine
SMILESCC1SCCCC1=NO
InChIInChI=1S/C6H11NOS/c1-5-6(7-8)3-2-4-9-5/h5,8H,2-4H2,1H3
InChIKeyRNKRGWJWZDEUHL-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.73
Rot. Bonds

About N-(2-methylthian-3-ylidene)hydroxylamine

N-(2-methylthian-3-ylidene)hydroxylamine (PubChem CID 79954121) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-(2-methylthian-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methylthian-3-ylidene)hydroxylamine
PubChem CID79954121
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-(2-methylthian-3-ylidene)hydroxylamine
SMILESCC1SCCCC1=NO
InChIInChI=1S/C6H11NOS/c1-5-6(7-8)3-2-4-9-5/h5,8H,2-4H2,1H3
InChIKeyRNKRGWJWZDEUHL-UHFFFAOYSA-N
XLogP1.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylthian-3-ylidene)hydroxylamine?
The IUPAC name of N-(2-methylthian-3-ylidene)hydroxylamine (CID 79954121) is N-(2-methylthian-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-methylthian-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2-methylthian-3-ylidene)hydroxylamine is CC1SCCCC1=NO.
What is the InChIKey of N-(2-methylthian-3-ylidene)hydroxylamine?
The InChIKey is RNKRGWJWZDEUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-5-6(7-8)3-2-4-9-5/h5,8H,2-4H2,1H3.
What are the key properties of N-(2-methylthian-3-ylidene)hydroxylamine?
N-(2-methylthian-3-ylidene)hydroxylamine has a molecular weight of 145.23 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylthian-3-ylidene)hydroxylamine is sourced from PubChem (CID 79954121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).