N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine

C8H8ClN3S — CID 146178445

IUPACN-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine
SMILESCc1ccc(Cl)c2c(NS)n[nH]c12
InChIInChI=1S/C8H8ClN3S/c1-4-2-3-5(9)6-7(4)10-11-8(6)12-13/h2-3,13H,1H3,(H2,10,11,12)
InChIKeyDHOWUXHQKQQRTC-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.78
Rot. Bonds1

About N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine

N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine (PubChem CID 146178445) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine
PubChem CID146178445
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC NameN-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine
SMILESCc1ccc(Cl)c2c(NS)n[nH]c12
InChIInChI=1S/C8H8ClN3S/c1-4-2-3-5(9)6-7(4)10-11-8(6)12-13/h2-3,13H,1H3,(H2,10,11,12)
InChIKeyDHOWUXHQKQQRTC-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.78
H-Bond Donors ≤ 53
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-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine?
The IUPAC name of N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine (CID 146178445) is N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine.
What is the SMILES notation for N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine?
The canonical SMILES for N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine is Cc1ccc(Cl)c2c(NS)n[nH]c12.
What is the InChIKey of N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine?
The InChIKey is DHOWUXHQKQQRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c1-4-2-3-5(9)6-7(4)10-11-8(6)12-13/h2-3,13H,1H3,(H2,10,11,12).
What are the key properties of N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine?
N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine has a molecular weight of 213.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-7-methyl-1H-indazol-3-yl)thiohydroxylamine is sourced from PubChem (CID 146178445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).