Chemical ID: 4954869

c1ccc(c(c1)c2csc(=N)[nH]2)Cl
Chemical ID:
4954869
Name [?]:
4-(2-chlorophenyl)-3H-thiazol-2-imine
SMILES [?]:
c1ccc(c(c1)c2csc(=N)[nH]2)Cl
InChi [?]:
InChI=1/C9H7ClN2S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,7,10,13,11,12,9/rA:13nCCCCCCCCSCNNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;w10;s7s10;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7ClN2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.79116
Area:360.397
Solvation:-1.21876
Coulombic:-25.3997
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:210.684
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.82
LogP (Chemaxon):3.04

Name Annotations

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Descriptor Annotations

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