Thiolan-2-ylmethanol

CAT: 0127-OR88917-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR88917-01Size:100 mg

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CAS Number

38518-31-9

MDL Number

MFCD19668130

Purity

95%

Smiles

OCC1SCCC1

Chemical Information

Thiolan-2-ylmethanol

CAS Number	38518-31-9
PubChem CID	22395729
IUPAC Name	thiolan-2-ylmethanol
Molecular Formula	C5H10OS
Molecular Weight	118.20
XLogP	0.7
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	56

SMILES

C1CC(SC1)CO

InChI

InChI=1S/C5H10OS/c6-4-5-2-1-3-7-5/h5-6H,1-4H2

InChIKey

CCWMXACNCKOLEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38518-31-9

CID: 22395729

Formula: C5H10OS

MW: 118.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.20
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	118.04523611
Monoisotopic Mass	118.04523611
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	56
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