Fudosteine Impurity 31

CAT: 1299-RM-F225031-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F225031-01Size:10 mg

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CAS Number

19721-22-3

Synonyms

3-mercaptopropan-1-ol

Molecular Formula

C3H8OS

Molecular Weight

92.16

Target Alternative Name

Fudosteine

Product Name Synonym

3-mercaptopropan-1-ol

Chemical Information

3-Mercaptopropanol

structure in first source

CAS Number	19721-22-3
PubChem CID	88211
IUPAC Name	3-sulfanylpropan-1-ol
Molecular Formula	C3H8OS
Molecular Weight	92.16
XLogP	0.2
Topological Polar Surface Area	21.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	16

SMILES

C(CO)CS

InChI

InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2

InChIKey

SHLSSLVZXJBVHE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19721-22-3

CID: 88211

Formula: C3H8OS

MW: 92.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	92.16
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	92.02958605
Monoisotopic Mass	92.02958605
Topological Polar Surface Area	21.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	16.4
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
RM-F225001-01	Fudosteine Impurity A; Fudosteine Sulfoxide
RM-F225021-01	Fudosteine Impurity 21 (S-Fudosteine)
RM-F225008-01	Fudosteine Impurity 8
RM-F225047-01	Fudosteine Impurity 47
RM-F225003-01	Fudosteine Impurity 3
RM-F225076-01	Fudosteine Impurity 76
RM-F225075-01	Fudosteine Impurity 75
RG-M200810-01	Fudosteine Impurity 42
RG-D031201-01	Fudosteine Impurity B
RM-F225039-01	Fudosteine Impurity 39