(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride

C8H8FN3O2S2 — CID 6167748

IUPAC(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride
SMILESCn1/c(=N\N)sc2ccc(S(=O)(=O)F)cc21
InChIInChI=1S/C8H8FN3O2S2/c1-12-6-4-5(16(9,13)14)2-3-7(6)15-8(12)11-10/h2-4H,10H2,1H3/b11-8+
InChIKeyXFRKBBZYZWZWFX-DHZHZOJOSA-N
MW261.30 g/mol
LogP0.67
Rot. Bonds1

About (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride

(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride (PubChem CID 6167748) has the molecular formula C8H8FN3O2S2 and a molecular weight of 261.30 g/mol. Its IUPAC name is (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride
PubChem CID6167748
Molecular FormulaC8H8FN3O2S2
Molecular Weight261.30 g/mol
Exact Mass261.00
IUPAC Name(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride
SMILESCn1/c(=N\N)sc2ccc(S(=O)(=O)F)cc21
InChIInChI=1S/C8H8FN3O2S2/c1-12-6-4-5(16(9,13)14)2-3-7(6)15-8(12)11-10/h2-4H,10H2,1H3/b11-8+
InChIKeyXFRKBBZYZWZWFX-DHZHZOJOSA-N
XLogP0.67
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal
CID 175534018
4-[(5E)-5-hydrazinylidene-4-methyl-1,3,4-thiadiazol-2-yl]benzenesulfonyl fluoride
CID 6172612
4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892129
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
CID 54058185
potassium (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-4-sulfonate
CID 102268613
4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide
CID 40849610
4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40849614
1-methylindazole-6-sulfonyl fluoride
CID 156875828
4-methoxy-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40891908
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-N-methylsulfonylbenzenesulfonamide
CID 131707347
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride?
The IUPAC name of (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride (CID 6167748) is (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride.
What is the SMILES notation for (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride?
The canonical SMILES for (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride is Cn1/c(=N\N)sc2ccc(S(=O)(=O)F)cc21.
What is the InChIKey of (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride?
The InChIKey is XFRKBBZYZWZWFX-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H8FN3O2S2/c1-12-6-4-5(16(9,13)14)2-3-7(6)15-8(12)11-10/h2-4H,10H2,1H3/b11-8+.
What are the key properties of (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride?
(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride has a molecular weight of 261.30 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride is sourced from PubChem (CID 6167748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).