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3-Methanesulfinylcyclohexan-1-amine

CAT: 0926-RDC74425-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-RDC74425-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1341744-25-9
MDL Number
MFCD20402520
Smiles
CS (=O) C1CCCC (C1) N
Molecular Formula
C7H15NOS
Molecular Weight
161.27 g/mol
Controlled
No

Chemical Information

3-Methanesulfinylcyclohexan-1-amine
CAS Number1341744-25-9
PubChem CID64717383
IUPAC Name3-methylsulfinylcyclohexan-1-amine
Molecular FormulaC7H15NOS
Molecular Weight161.27
XLogP-0.3
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity138
SMILES
CS(=O)C1CCCC(C1)N
InChI
InChI=1S/C7H15NOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3
InChIKey
BYJYAVYDWVNBHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methanesulfinylcyclohexan-1-amine
CAS: 1341744-25-9
CID: 64717383
Formula: C7H15NOS
MW: 161.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.27
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass161.08743528
Monoisotopic Mass161.08743528
Topological Polar Surface Area62.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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