Chemical ID: 4736689

C1CCC(CC1)N=C=S
Chemical ID:
4736689
Name [?]:
isothiocyanatocyclohexane
SMILES [?]:
C1CCC(CC1)N=C=S
InChi [?]:
InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,4,7,9/E:(2,3)(4,5)/rA:9nCCCCCCNCS/rB:s1;s2;s3;s4;s1s5;s4;d7;d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11NS
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:7.19539
Area:308.3
Solvation:-0.512101
Coulombic:-4.90875
Bond Count [?]
All:9
Single:7
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:141.235
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.63
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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