Chemical ID: 4665981

c1ccc(cc1)Sc2ccn[nH]2
Chemical ID:
4665981
Name [?]:
3-phenylsulfanyl-2H-pyrazole
SMILES [?]:
c1ccc(cc1)Sc2ccn[nH]2
InChi [?]:
InChI=1/C9H8N2S/c1-2-4-8(5-3-1)12-9-6-7-10-11-9/h1-7H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,4,8,11,12,7/E:(2,3)(4,5)/rA:12nCCCCCCSCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.85849
Area:336.824
Solvation:-1.56211
Coulombic:-11.3521
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.239
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.0
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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