(2-Cyclopropyl-1,3-thiazol-4-yl)methanol

CAS Number: 135207-09-9
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OCc1csc(C2CC2)n1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H9NOS
Molecular Weight
155.22
Drug-likeness
3.2493
CAS
135207-09-9
InChI key
VKWKFTDGZIIVGT-UHFFFAOYSA-N
SMILES
OCc1csc(C2CC2)n1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 135207-09-9
Molecule Name (2-Cyclopropyl-1,3-thiazol-4-yl)methanol
Molecular Formula C7H9NOS
SMILES OCc1csc(C2CC2)n1
InChI InChI=1S/C7H9NOS/c9-3-6-4-10-7(8-6)5-1-2-5/h4-5,9H,1-3H2
InChI Key VKWKFTDGZIIVGT-UHFFFAOYSA-N
CanonicalSyTyLFy 6a88a44bd4142a8e
TotalMolweight 155.22
Molecular Weight 155.22
MonoisotopicMass 155.040484
CLogP 1.0572
CLogS -1.511
H Acceptors 2
H Donors 1
TotalSurfaceArea 114.59
Relative PSA 0.38773
PolarSurfaceArea 61.36
Drug-likeness 3.2493
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.41
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 5
Sp3Atoms 5
Symmetricatoms 1
Aromatic Nitrogens 1

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