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S-(1-Phenyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate

S-(1-Phenyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate structure

CAS No:
50623-01-3
Formula:
C14H12N4O2S2
Chemical Name:
S-(1-Phenyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate
Synonyms:
Benzenesulfonothioic acid,4-methyl-,S-(1-phenyl-1H-tetrazol-5-yl) ester;p-Toluenesulfonic acid,thio-,S-1-phenyl-1H-tetrazol-5-yl ester;S-(1-Phenyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate;NSC 297594

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S-(1-Phenyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate Basic Attributes

Molecular Weight：

332.40100

Exact Mass：

332.40

NSC Number：

297594

DSSTox ID：

DTXSID20198670

HScode：

2933990090

Characteristics

PSA：

111.42000

XLogP3：

3.53250

Density：

1.43g/cm3

Boiling Point：

548.1ºC

Flash Point：

285.3ºC

Refractive Index：

1.705

Computed Properties

Molecular Weight:332.4
XLogP3:3.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:332.04016799
Monoisotopic Mass:332.04016799
Topological Polar Surface Area:111
Heavy Atom Count:22
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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O-Butyl S-(1-phenyl-1H-tetrazol-5-yl) carbonothioate

38593-84-9

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Guide of S-(1-Phenyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate

Basic Attributes
Characteristics
Computed Properties
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