5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride

C6H10ClN3S2 — CID 173393299

IUPAC5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride
SMILESC1=NSSC1.Cc1ccn[nH]1.Cl
InChIInChI=1S/C4H6N2.C2H3NS2.ClH/c1-4-2-3-5-6-4;1-2-4-5-3-1;/h2-3H,1H3,(H,5,6);1H,2H2;1H
InChIKeyDGRGNKZYYJJZEU-UHFFFAOYSA-N
MW223.75 g/mol
LogP2.51
Rot. Bonds

About 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride

5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride (PubChem CID 173393299) has the molecular formula C6H10ClN3S2 and a molecular weight of 223.75 g/mol. Its IUPAC name is 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride
PubChem CID173393299
Molecular FormulaC6H10ClN3S2
Molecular Weight223.75 g/mol
Exact Mass223.00
IUPAC Name5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride
SMILESC1=NSSC1.Cc1ccn[nH]1.Cl
InChIInChI=1S/C4H6N2.C2H3NS2.ClH/c1-4-2-3-5-6-4;1-2-4-5-3-1;/h2-3H,1H3,(H,5,6);1H,2H2;1H
InChIKeyDGRGNKZYYJJZEU-UHFFFAOYSA-N
XLogP2.51
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride?
The IUPAC name of 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride (CID 173393299) is 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride is C1=NSSC1.Cc1ccn[nH]1.Cl.
What is the InChIKey of 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride?
The InChIKey is DGRGNKZYYJJZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H3NS2.ClH/c1-4-2-3-5-6-4;1-2-4-5-3-1;/h2-3H,1H3,(H,5,6);1H,2H2;1H.
What are the key properties of 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride?
5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-dithiazole;5-methyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 173393299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).