2-[ (2-Mercaptoethyl) thio]-ethanol

CAT: 0926-YDA02619Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-YDA02619Size:0.1 g

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CAS Number

98026-19-8

MDL Number

MFCD28118691

Smiles

C (CSCCS) O

Molecular Formula

C4H10OS2

Molecular Weight

138.3 g/mol

Controlled

Chemical Information

2-((2-Sulfanylethyl)sulfanyl)ethan-1-ol

CAS Number	98026-19-8
PubChem CID	5255742
IUPAC Name	2-(2-sulfanylethylsulfanyl)ethanol
Molecular Formula	C4H10OS2
Molecular Weight	138.3
XLogP	0.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	32

SMILES

C(CSCCS)O

InChI

InChI=1S/C4H10OS2/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey

BTEAFSPWXRCITQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98026-19-8

CID: 5255742

Formula: C4H10OS2

MW: 138.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.3
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	138.01730729
Monoisotopic Mass	138.01730729
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	32.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FA158220-01	2-[ (2-Aminoethyl) thio]-ethanol
FB18676-01	Bis (2-mercaptoethyl) sulfone
FB167405-01	N, N'-Bis (2-mercaptoethyl) isophthalamide
FE37065-01	2 (2-Ethoxyethoxy) ethanol
FB19294-01	2- (2-Bromophenyl) ethanol
FP44510-01	2- (2-Phenoxyethoxy) ethanol
FM58242-01	2- (2-Methoxyphenoxy) ethanol
BBA05940	2- (2-iodophenyl) ethanol
UGA55713-01	2-Thio-2'-deoxycytidine
SBA87607-01	2- (2-aminophenoxy) ethanol

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