2- (Thiomorpholin-3-yl) ethan-1-ol

CAT: 0926-WGA35131-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WGA35131-01Size:50 mg

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CAS Number

171351-31-8

MDL Number

MFCD22369836

Smiles

C1CSCC (N1) CCO

Molecular Formula

C6H13NOS

Molecular Weight

147.24 g/mol

Controlled

Chemical Information

2-(Thiomorpholin-3-yl)ethan-1-ol

CAS Number	171351-31-8
PubChem CID	21717136
IUPAC Name	2-thiomorpholin-3-ylethanol
Molecular Formula	C6H13NOS
Molecular Weight	147.24
XLogP	0
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	79

SMILES

C1CSCC(N1)CCO

InChI

InChI=1S/C6H13NOS/c8-3-1-6-5-9-4-2-7-6/h6-8H,1-5H2

InChIKey

BHJAZJAQOKJLHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 171351-31-8

CID: 21717136

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	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	147.07178521
Monoisotopic Mass	147.07178521
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	79.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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