Chemical ID: 4736571

c1cc(ccc1N=C=S)Cl
Chemical ID:
4736571
Name [?]:
1-chloro-4-isothiocyanato-benzene
SMILES [?]:
c1cc(ccc1N=C=S)Cl
InChi [?]:
InChI=1/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChi Info:
AuxInfo=1/0/N:2,4,1,5,8,3,6,10,7,9/E:(1,2)(3,4)/rA:10nCCCCCCNCSCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d8;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClNS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.64608
Area:330.254
Solvation:-0.610261
Coulombic:-5.26972
Bond Count [?]
All:10
Single:5
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:169.632
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.81
LogP (Chemaxon):3.81

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Descriptor Annotations

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