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1-amino-4-sulfosulfanylbutane

1-amino-4-sulfosulfanylbutane structure

CAS No:
21679-16-3
Formula:
C4H11NO3S2
Chemical Name:
1-amino-4-sulfosulfanylbutane
Synonyms:
1-BUTANETHIOL, 4-AMINO-, HYDROGEN SULFATE (ester);21679-16-3;BRN 3081503;Thiosulfuric acid, 4-aminobutyl ester;4-Amino-1-butanethiol sulfate;SCHEMBL14917214;DTXSID50176062

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1-amino-4-sulfosulfanylbutane Basic Attributes

Molecular Weight：

185.3 g/mol

Exact Mass：

185.01803556 g/mol

DSSTox ID：

DTXSID50176062

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:185.3
XLogP3:-3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:185.01803556
Monoisotopic Mass:185.01803556
Topological Polar Surface Area:114
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-amino-4-sulfosulfanylbutane

Basic Attributes
Characteristics
Computed Properties

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