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BH3I-1

BH3I-1 structure

CAS No:
300817-68-9
Formula:
C15H14BrNO3S2
Chemical Name:
BH3I-1
Synonyms:
BH3I-1;300817-68-9;BH3I 1;2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid;2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid;CBDivE_015522;BHI1;BH 3I1;SCHEMBL158041;CTK8E7188;BCP17483

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BH3I-1 Basic Attributes

Molecular Weight：

400.316

Exact Mass：

398.95985

Characteristics

PSA：

115

Appearance：

powder, yellow

Water Solubility：

DMSO: >10 mg/mL, soluble

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

20/21/22

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:400.3
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:398.95985
Monoisotopic Mass:398.95985
Topological Polar Surface Area:115
Heavy Atom Count:22
Complexity:513
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: smz tmp; natriumtripolyphosphat; pyrilamine; 2-methyl-2-butene; furfuryl alcohol; calcium carbonate formula

Guide of BH3I-1

Basic Attributes
Characteristics
Safety Information
Computed Properties

BH3I-1

SDS

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