Benzo[b]thiophene-2-methanol - CAS 17890-56-1
Catalog:
BB013514
Product Name:
Benzo[b]thiophene-2-methanol
CAS:
17890-56-1
Synonyms:
2-(Hydroxymethyl)benzo[b]thiophene
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BB013514
100 g
$499
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IUPAC Name: 1-benzothiophen-2-ylmethanol
Description: Benzo[b]thiophene-2-methanol is an important intermediate and reagent in organic synthesis.
Molecular Weight: 164.22
Molecular Formula: C9H8OS
Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)CO
InChI: InChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
InChI Key: SUHKSQTXXZQEBH-UHFFFAOYSA-N
Boiling Point: 324 °C / 760 mmHg
Melting Point: 98-101 °C
Density: 1.294±0.06 g/cm3 (Predicted)
Appearance: White to Orange to Green Powder
Storage: Keep in dark place. Sealed in dry. Room temperature.
MDL: MFCD02682004
LogP: 2.39360
GHS Hazard Statement: H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
CN-111548269-A Preparation method of diarylmethane structure compound 20200429
WO-2020072580-A1 Matriptase 2 inhibitors and uses thereof 20181002
EP-3860636-A1 Matriptase 2 inhibitors and uses thereof 20181002
CN-108276396-A A method of synthesis ipragliflozin 20180211
WO-2019146773-A1 Thiophene derivative and use thereof 20180125
Complexity: 138
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 164.02958605
Formal Charge: 0
Heavy Atom Count: 11
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 164.02958605
Rotatable Bond Count: 1
Topological Polar Surface Area: 48.5 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.1
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