CAS
906352-85-0 Purity
96%
906352-85-0 Purity
96%
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4-(Hydroxymethyl)-4-thien-2-yltetrahydro-2H-pyran
CAS
906352-94-1
Catalog Number
ACM906352941
Category
Other Products
Molecular Weight
198.28
Molecular Formula
C10H14O2S
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Specification
Synonyms
(4-Thien-2-yltetrahydropyran-4-yl)methanol
IUPAC Name
(4-thiophen-2-yloxan-4-yl)methanol
Canonical SMILES
C1COCCC1(CO)C2=CC=CS2
InChI Key
JHVRUEHWCGLJPP-UHFFFAOYSA-N
Boiling Point
326.4ºC at 760 mmHg
Melting Point
78-80ºC
Flash Point
151.2ºC
Density
1.179g/cm³
Exact Mass
198.07100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 24229668?
The molecular formula is C10H14O2S.
What is the molecular weight of the compound?
The molecular weight is 198.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (4-thiophen-2-yloxan-4-yl)methanol.
What is the InChIKey of the compound?
The InChIKey is JHVRUEHWCGLJPP-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.4.
How many hydrogen bond acceptor counts are there in the compound?
There are 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 57.7 Ų.
How many rotatable bond counts are there in the compound?
There are 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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