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Home >> Chemical Listing >> Page 680 >> 6-(Hydroxymethyl)-1,3-Benzothiazole-2(3H)-Thione

6-(Hydroxymethyl)-1,3-Benzothiazole-2(3H)-Thione
[CAS# 171874-45-6]

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Identification
Name 6-(Hydroxymethyl)-1,3-Benzothiazole-2(3H)-Thione
Synonyms (2-mercaptobenzo[d]thiazol-6-yl)methanol; 2(3H)-BENZOTHIAZOLETHIONE,6-(HYDROXYMETHYL)-
Molecular Structure CAS#: 171874-45-6, 6-(Hydroxymethyl)-1,3-Benzothiazole-2(3H)-Thione
Molecular Formula C8H7NOS2
Molecular Weight 197.28
CAS Registry Number 171874-45-6
SMILES OCc1ccc2nc(S)sc2c1
InChI 1S/C8H7NOS2/c10-4-5-1-2-6-7(3-5)12-8(11)9-6/h1-3,10H,4H2,(H,9,11)
InChIKey ZWWJKJVHIUOXEK-UHFFFAOYSA-N
Properties
Density 1.487g/cm3 (Cal.)
Boiling point 379.689°C at 760 mmHg (Cal.)
Flash point 183.429°C (Cal.)
Refractive index 1.771 (Cal.)
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