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2-Mercaptobenzothiazole
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2-Mercaptobenzothiazole
2-Mercaptobenzothiazole (CAS NO : 149-30-4)
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Chemical Properties & Specifications
Identifiers
Properties
Identifiers of 2-Mercaptobenzothiazole
Canonical Smiles
C1=CC=C2C(=C1)NC(=S)S2
Inchi Key
YXIWHUQXZSMYRE-UHFFFAOYSA-N
Inchi
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
CAS Number
149-30-4
Molecular Formula
C7H5NS2
IUPAC
3H-1,3-benzothiazole-2-thione
Properties of 2-Mercaptobenzothiazole
melting_point
351 to 358 °F (NTP, 1992)
boiling_point
Decomposes (NTP, 1992)
solubility
less than 1 mg/mL at 66 °F (NTP, 1992)
density
1.42 at 68 °F (NTP, 1992) - Denser than water; will sink
logP
log Kow = 2.41
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