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5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL

5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL structure

CAS No:
116710-50-0
Formula:
C16H12N4S3
Chemical Name:
5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL

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5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

356.48

Exact Mass：

356.02200

DSSTox ID：

DTXSID90360847

HScode：

2934200090

Characteristics

PSA：

126

XLogP3：

4.45800

Density：

1.49g/cm3

Boiling Point：

501.1ºC at 760mmHg

Flash Point：

256.8ºC

Refractive Index：

1.801

Vapor Pressure：

3.6E-10mmHg at 25°C

Computed Properties

Molecular Weight:356.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:356.02240992
Monoisotopic Mass:356.02240992
Topological Polar Surface Area:126
Heavy Atom Count:23
Complexity:478
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Computed Properties

5-(BENZOTHIAZOL-2-YLSULFANYLMETHYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL

SDS

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