Chemical ID: 5690644

CCCSc1ccc2c(c1)[nH]c(=NC(=O)OC)[nH]2
Chemical ID:
5690644
Name [?]:
methyl (5-propylsulfanyl-1,3-dihydrobenzoimidazol-2-ylidene)aminoformate
SMILES [?]:
CCCSc1ccc2c(c1)[nH]c(=NC(=O)OC)[nH]2
InChi [?]:
InChI=1/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,7,3,10,5,8,9,12,14,18,11,13,15,16,4/rA:18nCCCSCCCCCCNCNCOOCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;d14;s14;s16;s8s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N3O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.69743
Area:460.989
Solvation:-1.82729
Coulombic:-52.9482
Bond Count [?]
All:19
Single:14
Double:5
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:265.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.01
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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