Chemical ID: 3998963

COc1ccc(cc1OC)C(=S)N
Chemical ID:
3998963
Name [?]:
3,4-dimethoxybenzenecarbothioamide
SMILES [?]:
COc1ccc(cc1OC)C(=S)N
InChi [?]:
InChI=1/C9H11NO2S/c1-11-7-4-3-6(9(10)13)5-8(7)12-2/h3-5H,1-2H3,(H2,10,13)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,7,6,3,8,11,13,2,9,12/rA:13nCOCCCCCCOCCSN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:4.96487
Area:363.479
Solvation:-4.1221
Coulombic:-31.4388
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:197.255
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.04
LogP (Chemaxon):0.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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