Chemical ID: 4736691

CCCN=C=S
Chemical ID:
4736691
Name [?]:
1-isothiocyanatopropane
SMILES [?]:
CCCN=C=S
InChi [?]:
InChI=1/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,5,4,6/rA:6nCCCNCS/rB:s1;s2;s3;d4;d5;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C4H7NS
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:6.07661
Area:267.262
Solvation:-0.604938
Coulombic:-4.21077
Bond Count [?]
All:5
Single:3
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:101.171
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.52
LogP (Chemaxon):2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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