Chemical ID: 4776232

CC(=NNC(=S)N)c1ccc(cc1)Br
Chemical ID:
4776232
Name [?]:
1-(4-bromophenyl)ethylideneaminothiourea
SMILES [?]:
CC(=NNC(=S)N)c1ccc(cc1)Br
InChi [?]:
InChI=1/C9H10BrN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,9,13,10,12,2,8,11,5,14,7,3,4,6/E:(2,3)(4,5)/rA:14nCCNNCSNCCCCCCBr/rB:s1;w2;s3;s4;d5;s5;s2;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10BrN3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.85394
Area:412.707
Solvation:-1.46372
Coulombic:-28.2004
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:272.166
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.28
LogP (Chemaxon):2.4

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