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4-chloro-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

4-chloro-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine structure

CAS No:
128277-14-5
Formula:
C17H15ClN2S2
Chemical Name:
4-chloro-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Synonyms:
4-chloro-2-[(phenylthio)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine;

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4-chloro-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Basic Attributes

Molecular Weight：

346.89700

Exact Mass：

346.0365185 g/mol

DSSTox ID：

DTXSID40368176

Characteristics

PSA：

79.32000

XLogP3：

5.51580

Density：

1.4g/cm3

Boiling Point：

451.1ºC at 760 mmHg

Flash Point：

226.6ºC

Refractive Index：

1.712

Vapor Pressure：

6.68E-08mmHg at 25°C

Computed Properties

Molecular Weight:346.9
XLogP3:5.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:346.0365185
Monoisotopic Mass:346.0365185
Topological Polar Surface Area:79.3
Heavy Atom Count:22
Complexity:378
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-chloro-2-(phenylsulfanylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Basic Attributes
Characteristics
Computed Properties

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