1. Introduction of3-Thienylmethanol
The 3-Thienylmethanol, with its CAS NO71637-34-8, is a kind o…
1. Introduction of 3-Thienylmethanol
The 3-Thienylmethanol, with its CAS NO 71637-34-8, is a kind of white or little yellow liquid. It has synonyms of 3-(Hydroxymethyl)thiophene;3-Thienylcarbinol;Thiophen-3-ylmethanol and Thiophene-3-ylmethanol. 3-Thienylmethanol
should be stored in shady and cool warehouse.
2. Properties of 3-Thienylmethanol
(1) XLogP3 0.7 (2) H-Bond Donor 1 (3) H-Bond Acceptor 2
(4) Rotatable Bond Count 1 (5) Exact Mass 114.013936 (6) MonoIsotopic Mass 114.013936
(7) Topological Polar Surface Area 48.5 (8) Heavy Atom Count 7 (9) Complexity 56
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D Acceptor Count 1 (12) Feature 3D Donor Count 1
(13) Feature 3D Ring Count 1 (14) Effective Rotor Count 1 (15) Conformer Sampling RMSD 0.4
(16) CID Conformer Count 4
3. Structure descriptors of 3-Thienylmethanol
IUPAC Name: thiophen-3-ylmethanol
InChI: InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChIKey: BOWIFWCBNWWZOG-UHFFFAOYSA-N
Canonical SMILES : C1=CSC=C1CO
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