Chemical ID: 6910747

c1ccc(cc1)c2csc(n2)SCC#N
Chemical ID:
6910747
Name [?]:
2-(4-phenylthiazol-2-yl)sulfanylacetonitrile
SMILES [?]:
c1ccc(cc1)c2csc(n2)SCC#N
InChi [?]:
InChI=1/C11H8N2S2/c12-6-7-14-11-13-10(8-15-11)9-4-2-1-3-5-9/h1-5,8H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,13,8,4,7,10,15,11,12,9/E:(2,3)(4,5)/rA:15nCCCCCCCCSCNSCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8N2S2
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.56462
Area:422.995
Solvation:-2.01026
Coulombic:-10.3281
Bond Count [?]
All:16
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.327
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.46
LogP (Chemaxon):3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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