Chemical ID: 6683512

CSCCC=O
Chemical ID:
6683512
Name [?]:
3-methylsulfanylpropanal
SMILES [?]:
CSCCC=O
InChi [?]:
InChI=1/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,2/rA:6nCSCCCO/rB:s1;s2;s3;s4;d5;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C4H8OS
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:4.4352
Area:265.009
Solvation:-2.19002
Coulombic:-6.91546
Bond Count [?]
All:5
Single:4
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:104.172
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.2
LogP (Chemaxon):0.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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