2-Thiomorpholinoethanol

CAT: 0127-BUP10982-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10982-01Size:10 mg

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CAS Number

6007-64-3

Purity

=98%

Smiles

OCCN1CCSCC1

Chemical Information

2-(Thiomorpholin-4-yl)ethan-1-ol

CAS Number	6007-64-3
PubChem CID	575659
IUPAC Name	2-thiomorpholin-4-ylethanol
Molecular Formula	C6H13NOS
Molecular Weight	147.24
XLogP	0
Topological Polar Surface Area	48.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	73

SMILES

C1CSCCN1CCO

InChI

InChI=1S/C6H13NOS/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2

InChIKey

QJYGLIBXIXQRHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6007-64-3

CID: 575659

Formula: C6H13NOS

MW: 147.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.24
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	147.07178521
Monoisotopic Mass	147.07178521
Topological Polar Surface Area	48.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	73.5
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

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Catalog	Name
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