N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine

C12H10N2OS2 — CID 169193149

IUPACN-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine
SMILESONc1ccc2c(c1)Sc1cc(S)ccc1N2
InChIInChI=1S/C12H10N2OS2/c15-14-7-1-3-9-11(5-7)17-12-6-8(16)2-4-10(12)13-9/h1-6,13-16H
InChIKeyNICBYUOYFSMKSK-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.98
Rot. Bonds1

About N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine

N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine (PubChem CID 169193149) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine.

Molecular Properties

Compound NameN-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine
PubChem CID169193149
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC NameN-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine
SMILESONc1ccc2c(c1)Sc1cc(S)ccc1N2
InChIInChI=1S/C12H10N2OS2/c15-14-7-1-3-9-11(5-7)17-12-6-8(16)2-4-10(12)13-9/h1-6,13-16H
InChIKeyNICBYUOYFSMKSK-UHFFFAOYSA-N
XLogP3.98
TPSA44.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine?
The IUPAC name of N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine (CID 169193149) is N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine.
What is the SMILES notation for N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine?
The canonical SMILES for N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine is ONc1ccc2c(c1)Sc1cc(S)ccc1N2.
What is the InChIKey of N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine?
The InChIKey is NICBYUOYFSMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c15-14-7-1-3-9-11(5-7)17-12-6-8(16)2-4-10(12)13-9/h1-6,13-16H.
What are the key properties of N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine?
N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine has a molecular weight of 262.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-sulfanyl-10H-phenothiazin-3-yl)hydroxylamine is sourced from PubChem (CID 169193149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).