Tinidazole Impurity 5

CAT: 1299-RM-T140405-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140405-01Size:10 mg

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CAS Number

110-77-0

Synonyms

2- (ethylthio) ethanol

Molecular Formula

C4H10OS

Molecular Weight

106.19

Target Alternative Name

Tinidazole

Product Name Synonym

2- (ethylthio) ethanol

Chemical Information

2-(Ethylthio)ethanol

CAS Number	110-77-0
PubChem CID	8075
IUPAC Name	2-ethylsulfanylethanol
Molecular Formula	C4H10OS
Molecular Weight	106.19
XLogP	0.6
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	23

SMILES

CCSCCO

InChI

InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3

InChIKey

LNRIEBFNWGMXKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-77-0

CID: 8075

Formula: C4H10OS

MW: 106.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	106.19
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	106.04523611
Monoisotopic Mass	106.04523611
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	23.5
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