4-hydroxybutane-1-sulfonic acid

CAT: 1596-AR-B02309-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B02309-01Size:50 Units

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CAS Number

26978-64-3

Synonyms

4-hydroxybutane-1-sulfonic acid

Molecular Formula

C4H10O4S

Molecular Weight

154.18

API Name

Busulfan

Chemical Information

4-Hydroxy-1-butanesulfonic acid

CAS Number	26978-64-3
PubChem CID	96391
IUPAC Name	4-hydroxybutane-1-sulfonic acid
Molecular Formula	C4H10O4S
Molecular Weight	154.19
XLogP	-0.9
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	142

SMILES

C(CCS(=O)(=O)O)CO

InChI

InChI=1S/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)

InChIKey

YEGPVWSPNYPPIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26978-64-3

CID: 96391

Formula: C4H10O4S

MW: 154.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.19
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	154.02997997
Monoisotopic Mass	154.02997997
Topological Polar Surface Area	83 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	142
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
AR-S02127-01	Sodium 4-chloro-1-hydroxybutane-1-sulfonate
AR-F01093-01	Isoquinoline-1-sulfonic acid
AR-N08341-01	1-Naphthol-4-Sulfonic Acid Sodium Salt
AR-P29749-01	M-Cresol-4-sulfonic Acid
AR-P30745-01	Toluene-4-Sulfonic Acid 1-Ethyl-Propyl Ester
AR-N08355-01	1,2-Naphthoquinone-4-Sulfonic Acid Sodium Salt
AR-F01119-01	1-chloroisoquinoline-5-sulfonic acid
AR-V01026-01	Valdecoxib Sulfonic Acid
AR-P30941-01	Perfluorotridecane sulfonic acid
AR-M01546-01	Methazolamide Sulfonic Acid

Catalog	Name
FH45185-01	4-Hydroxybutane-1-sulfonic acid
FN149871-01	1-Naphthol-4-sulfonic acid
RG-A131422-01	4-Aminonaphthalene-1-Sulfonic Acid
WFA76447-01	4-Aminocyclohexane-1-sulfonic acid
H253550	4-Hydroxynaphthalene-1-sulfonic Acid
RG-E200852-01	4-Ethoxybutane-1-Sulfonic Acid
PAA06434-01	4-Aminobutane-1-sulfonic acid
FP38623-01	Phenylhydrazine-4-sulfonic acid
462680-01	Piperidine-4-sulfonic Acid
abx183576	4-Chlorobenzene sulfonic acid