CAS
94201-31-7 Purity
96%
94201-31-7 Purity
96%
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1,3-Nonadien-1-ylthiirane
CAS
94201-36-2
Catalog Number
ACM94201362
Category
Other Products
Molecular Weight
182.325620 [g/mol]
Molecular Formula
C11H18S
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Specification
Synonyms
CTK3I8143, 94201-36-2, AG-H-88188, Thiirane, 2-(1,3-nonadien-1-yl)-
IUPAC Name
2-nona-1,3-dienylthiirane
Canonical SMILES
CCCCCC=CC=CC1CS1
InChI Key
BZDBQPPCPHHOCH-UHFFFAOYSA-N
EC Number
303-621-8
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 1,3-Nonadien-1-ylthiirane?
The molecular formula of 1,3-Nonadien-1-ylthiirane is C11H18S.
What is the molecular weight of 1,3-Nonadien-1-ylthiirane?
The molecular weight of 1,3-Nonadien-1-ylthiirane is 182.33 g/mol.
What is the IUPAC name of 1,3-Nonadien-1-ylthiirane?
The IUPAC name of 1,3-Nonadien-1-ylthiirane is 2-[(1E,3E)-nona-1,3-dienyl]thiirane.
What is the InChI of 1,3-Nonadien-1-ylthiirane?
The InChI of 1,3-Nonadien-1-ylthiirane is InChI=1S/C11H18S/c1-2-3-4-5-6-7-8-9-11-10-12-11/h6-9,11H,2-5,10H2,1H3/b7-6+,9-8+.
What is the InChIKey of 1,3-Nonadien-1-ylthiirane?
The InChIKey of 1,3-Nonadien-1-ylthiirane is BZDBQPPCPHHOCH-BLHCBFLLSA-N.
What is the canonical SMILES of 1,3-Nonadien-1-ylthiirane?
The canonical SMILES of 1,3-Nonadien-1-ylthiirane is CCCCCC=CC=CC1CS1.
What is the CAS number of 1,3-Nonadien-1-ylthiirane?
The CAS number of 1,3-Nonadien-1-ylthiirane is 94201-36-2.
What is the XLogP3-AA value of 1,3-Nonadien-1-ylthiirane?
The XLogP3-AA value of 1,3-Nonadien-1-ylthiirane is 4.3.
Is 1,3-Nonadien-1-ylthiirane a canonicalized compound?
Yes, 1,3-Nonadien-1-ylthiirane is a canonicalized compound.
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