methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine

C9H14N4S — CID 142522707

IUPACmethanamine;S-(1-methylindazol-5-yl)thiohydroxylamine
SMILESCN.Cn1ncc2cc(SN)ccc21
InChIInChI=1S/C8H9N3S.CH5N/c1-11-8-3-2-7(12-9)4-6(8)5-10-11;1-2/h2-5H,9H2,1H3;2H2,1H3
InChIKeyBBLHTVMMBDYBGA-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.11
Rot. Bonds1

About methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine

methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine (PubChem CID 142522707) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine.

Molecular Properties

Compound Namemethanamine;S-(1-methylindazol-5-yl)thiohydroxylamine
PubChem CID142522707
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Namemethanamine;S-(1-methylindazol-5-yl)thiohydroxylamine
SMILESCN.Cn1ncc2cc(SN)ccc21
InChIInChI=1S/C8H9N3S.CH5N/c1-11-8-3-2-7(12-9)4-6(8)5-10-11;1-2/h2-5H,9H2,1H3;2H2,1H3
InChIKeyBBLHTVMMBDYBGA-UHFFFAOYSA-N
XLogP1.11
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethylindazole;ethane
CID 90788862
1-methylindazole-5-carbonitrile
CID 10583041
5-(2,2-dimethylpropyl)-1-methylindazole
CID 59139804
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
2-(1-methylindazol-5-yl)prop-2-enenitrile
CID 142664666
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
N-tert-butyl-1-methylindazol-5-amine
CID 58709852
5-(difluoromethoxy)-1-methylindazole
CID 141364933
1-methyl-N,N-bis[(2,3,4,5,6-pentafluorophenyl)methyl]indazol-5-amine
CID 59514076
5-(3-fluorophenyl)-1-methylindazole
CID 134375389
5-cyclopropyloxy-1-methylindazole
CID 130057460
ethane;methane;1-methylindazole
CID 142166782

Frequently Asked Questions

What is the IUPAC name of methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine?
The IUPAC name of methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine (CID 142522707) is methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine.
What is the SMILES notation for methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine?
The canonical SMILES for methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine is CN.Cn1ncc2cc(SN)ccc21.
What is the InChIKey of methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine?
The InChIKey is BBLHTVMMBDYBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S.CH5N/c1-11-8-3-2-7(12-9)4-6(8)5-10-11;1-2/h2-5H,9H2,1H3;2H2,1H3.
What are the key properties of methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine?
methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine has a molecular weight of 210.31 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine is sourced from PubChem (CID 142522707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).