Chemical ID: 4805928

CC(C)CSC(=S)NC1CCS(=O)(=O)C1
Chemical ID:
4805928
Name [?]:
N-(1,1-dioxothiolan-3-yl)-1-isobutylsulfanyl-thioformamide
SMILES [?]:
CC(C)CSC(=S)NC1CCS(=O)(=O)C1
InChi [?]:
InChI=1/C9H17NO2S3/c1-7(2)5-14-9(13)10-8-3-4-15(11,12)6-8/h7-8H,3-6H2,1-2H3,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,4,15,2,9,6,8,13,14,7,5,12/E:(1,2)(11,12)/CRV:15.6/rA:15cCCCCSCSNCCCSOOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;d12;d12;s9s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2S3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.40855
Area:444.516
Solvation:-2.70436
Coulombic:-15.143
Bond Count [?]
All:15
Single:12
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.435
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.69
LogP (Chemaxon):1.12

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Descriptor Annotations

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