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4-Mercapto-1-butanol

CAT: 0926-FM178197-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FM178197-01Size:1 g
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CAS Number
14970-83-3
Smiles
C (CCS) CO
Molecular Formula
C4H10OS
Molecular Weight
106.19 g/mol
Controlled
No

Chemical Information

4-Sulfanylbutan-1-ol
CAS Number14970-83-3
PubChem CID548261
IUPAC Name4-sulfanylbutan-1-ol
Molecular FormulaC4H10OS
Molecular Weight106.19
XLogP0.1
Topological Polar Surface Area21.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity23
SMILES
C(CCS)CO
InChI
InChI=1S/C4H10OS/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey
NEJMTSWXTZREOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Sulfanylbutan-1-ol
CAS: 14970-83-3
CID: 548261
Formula: C4H10OS
MW: 106.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.19
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass106.04523611
Monoisotopic Mass106.04523611
Topological Polar Surface Area21.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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