S-(5-ethylthiophen-2-yl)thiohydroxylamine

C6H9NS2 — CID 142237566

IUPACS-(5-ethylthiophen-2-yl)thiohydroxylamine
SMILESCCc1ccc(SN)s1
InChIInChI=1S/C6H9NS2/c1-2-5-3-4-6(8-5)9-7/h3-4H,2,7H2,1H3
InChIKeyJDDYPAZNVDEHGG-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.28
Rot. Bonds2

About S-(5-ethylthiophen-2-yl)thiohydroxylamine

S-(5-ethylthiophen-2-yl)thiohydroxylamine (PubChem CID 142237566) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is S-(5-ethylthiophen-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-ethylthiophen-2-yl)thiohydroxylamine
PubChem CID142237566
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC NameS-(5-ethylthiophen-2-yl)thiohydroxylamine
SMILESCCc1ccc(SN)s1
InChIInChI=1S/C6H9NS2/c1-2-5-3-4-6(8-5)9-7/h3-4H,2,7H2,1H3
InChIKeyJDDYPAZNVDEHGG-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(5-ethylthiophen-2-yl)thiohydroxylamine?
The IUPAC name of S-(5-ethylthiophen-2-yl)thiohydroxylamine (CID 142237566) is S-(5-ethylthiophen-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(5-ethylthiophen-2-yl)thiohydroxylamine?
The canonical SMILES for S-(5-ethylthiophen-2-yl)thiohydroxylamine is CCc1ccc(SN)s1.
What is the InChIKey of S-(5-ethylthiophen-2-yl)thiohydroxylamine?
The InChIKey is JDDYPAZNVDEHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-2-5-3-4-6(8-5)9-7/h3-4H,2,7H2,1H3.
What are the key properties of S-(5-ethylthiophen-2-yl)thiohydroxylamine?
S-(5-ethylthiophen-2-yl)thiohydroxylamine has a molecular weight of 159.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(5-ethylthiophen-2-yl)thiohydroxylamine is sourced from PubChem (CID 142237566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).