(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine

C7H5Cl2N3S — CID 2049848

IUPAC(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine
SMILESNNc1nc2c(Cl)ccc(Cl)c2s1
InChIInChI=1S/C7H5Cl2N3S/c8-3-1-2-4(9)6-5(3)11-7(12-10)13-6/h1-2H,10H2,(H,11,12)
InChIKeyRRAGSBRZTNXWEH-UHFFFAOYSA-N
MW234.11 g/mol
LogP2.89
Rot. Bonds1

About (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine

(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 2049848) has the molecular formula C7H5Cl2N3S and a molecular weight of 234.11 g/mol. Its IUPAC name is (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine
PubChem CID2049848
Molecular FormulaC7H5Cl2N3S
Molecular Weight234.11 g/mol
Exact Mass232.96
IUPAC Name(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine
SMILESNNc1nc2c(Cl)ccc(Cl)c2s1
InChIInChI=1S/C7H5Cl2N3S/c8-3-1-2-4(9)6-5(3)11-7(12-10)13-6/h1-2H,10H2,(H,11,12)
InChIKeyRRAGSBRZTNXWEH-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Benzothiazolamine, 4-chloro-
CID 29872
6-Chloro-2-benzothiazolamine
CID 7226
5-Chloro-2-benzothiazolamine
CID 30120
2-Amino-4,7-dichlorobenzothiazole
CID 2049891
4-Chloro-2-hydrazinylbenzo[d]thiazole
CID 2049837
2-Benzothiazolamine, dichloro-
CID 112722
7-Chloro-2-aminobenzothiazole
CID 30121
4-Chlorobenzothiazol-2-amine monohydrobromide
CID 198064
6-Chloro-2-hydrazinyl-1,3-benzothiazole
CID 737197
Benzothiazole, 5-chloro-2-hydrazinyl-
CID 16228806
4,5-Dichloro-2-hydrazinyl-1,3-benzothiazole
CID 2049846
4,5-Dichloro-1,3-benzothiazol-2-amine
CID 667739

Frequently Asked Questions

What is the IUPAC name of (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine (CID 2049848) is (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine is NNc1nc2c(Cl)ccc(Cl)c2s1.
What is the InChIKey of (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is RRAGSBRZTNXWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3S/c8-3-1-2-4(9)6-5(3)11-7(12-10)13-6/h1-2H,10H2,(H,11,12).
What are the key properties of (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine?
(4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 234.11 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 2049848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).