Chemical ID: 4852784

CC1(CCS(=O)(=O)C1)NC(=O)N(C)C2(CCS(=O)(=O)C2)C
Chemical ID:
4852784
Name [?]:
1-methyl-1,3-bis(3-methyl-1,1-dioxo-thiolan-3-yl)-urea
SMILES [?]:
CC1(CCS(=O)(=O)C1)NC(=O)N(C)C2(CCS(=O)(=O)C2)C
InChi [?]:
InChI=1/C12H22N2O5S2/c1-11(4-6-20(16,17)8-11)13-10(15)14(3)12(2)5-7-21(18,19)9-12/h4-9H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,21,13,3,15,4,16,8,20,10,2,14,9,12,11,6,7,18,19,5,17/E:(16,17)(18,19)/CRV:20.6,21.6/rA:21cCCCCSOOCNCONCCCCSOOCC/rB:s1;s2;s3;s4;d5;d5;s2s5;s2;s9;d10;s10;s12;s12;s14;s15;s16;d17;d17;s14s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22N2O5S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:6.6558
Area:488.76
Solvation:-5.56319
Coulombic:-31.4018
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.446
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.2
LogP (Chemaxon):-2.85

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