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

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

CAS No:
556020-42-9
Formula:
C17H14BrClN2S2
Chemical Name:
2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Synonyms:
5-{[(4-bromophenyl)sulfanyl]methyl}-3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene;556020-42-9;ZINC3344960;AKOS001074396;MCULE-8419470999;NE42498;2-[(4-bromophenyl)sulfanylmethyl]-4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;EN300-06696;5-{[(4-bromophenyl)sulfanyl]methyl}-3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6-tetraene

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

Molecular Weight：

425.8 g/mol

Exact Mass：

423.94703 g/mol

Characteristics

PSA：

79.3 Å²

Computed Properties

Molecular Weight:425.8
XLogP3:6.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:423.94703
Monoisotopic Mass:423.94703
Topological Polar Surface Area:79.3
Heavy Atom Count:23
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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