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1,3,4-thiadiazole-2-carbonyl chloride

1,3,4-thiadiazole-2-carbonyl chloride

CAS: 104473-08-7

Formula: C3HClN2OS

SMILES: ClC(=O)C1=NN=CS1

IUPAC: 1,3,4-thiadiazole-2-carbonyl chloride

InChI: InChI=1S/C3HClN2OS/c4-2(7)3-6-5-1-8-3/h1H

Composition: C (24.25%), H (0.68%), Cl (23.86%), N (18.86%), O (10.77%), S (21.58%)

Molar Mass: 148.56

Atom Count: 9

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 147.9498115
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SQLQVCRGURGBNE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.98
Topological Polar Surface Area 42.85
Polarizability 11.31
Ring Count 1
Rotatable Bond Count 1

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