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4-(3H-1,3-benzothiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one

4-(3H-1,3-benzothiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one structure

CAS No:
36341-25-0
Formula:
C14H11NO2S
Chemical Name:
4-(3H-1,3-benzothiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one
Synonyms:
4-(1,3-benzothiazol-2-yl)-2-methoxyphenol; 4-benzothiazol-2-yl-2-methoxyphenol; 2-(4-hydroxy-3-methoxyphenyl)benzo[d]thiazole; Phenol,4-(2-benzothiazolyl)-2-methoxy; 2-(4-HYDROXY-3-METHOXYPHENYL)BENZOTHIAZOLE; 2-(3-methoxy-4-hydroxyphenyl)benzothiazole; 4-(benzo[d]thiazol-2-yl)-2-methoxyphenol;Expand

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4-(3H-1,3-benzothiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one Basic Attributes

Molecular Weight：

257.30800

Exact Mass：

257.05104977

DSSTox ID：

DTXSID00425537

HScode：

2934200090

Characteristics

PSA：

70.59000

XLogP3：

3.67750

Density：

1.327g/cm3

Boiling Point：

446.448ºC

Flash Point：

223.804ºC

Refractive Index：

1.685

Drug Information

MeSH Entry Terms：

2-(4-hydroxy-3-methoxyphenyl)benzothiazole

Computed Properties

Molecular Weight:257.31
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:257.05104977
Monoisotopic Mass:257.05104977
Topological Polar Surface Area:70.6
Heavy Atom Count:18
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3H-1,3-benzothiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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