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1,6-Bis-boc-8-(thiomethyl)ergoline

1,6-Bis-boc-8-(thiomethyl)ergoline structure

CAS No:
1263162-43-1
Formula:
C25H34N2O4S
Chemical Name:
1,6-Bis-boc-8-(thiomethyl)ergoline
Synonyms:
1,6-Bis-boc-8beta-(thiomethyl)ergoline;DTXSID90747159;ZINC35636601;Di-tert-butyl (8beta)-8-(sulfanylmethyl)ergoline-1,6-dicarboxylate

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Description

White Solid

1,6-Bis-boc-8-(thiomethyl)ergoline Basic Attributes

Molecular Weight：

456.59758

Exact Mass：

458.224

DSSTox ID：

DTXSID90747159

Characteristics

PSA：

61.8

XLogP3：

Density：

1.25±0.1 g/cm3(Predicted)

Boiling Point：

589.9±60.0 °C(Predicted)

Computed Properties

Molecular Weight:458.6
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:458.22392874
Monoisotopic Mass:458.22392874
Topological Polar Surface Area:61.8
Heavy Atom Count:32
Complexity:730
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,6-Bis-boc-8-(thiomethyl)ergoline

Description
Basic Attributes
Characteristics
Computed Properties

1,6-Bis-boc-8-(thiomethyl)ergoline

SDS

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