Chemical ID: 4736556

CCCNC(=S)NCCC
Chemical ID:
4736556
Name [?]:
1,3-dipropylthiourea
SMILES [?]:
CCCNC(=S)NCCC
InChi [?]:
InChI=1/C7H16N2S/c1-3-5-8-7(10)9-6-4-2/h3-6H2,1-2H3,(H2,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,10,2,9,3,8,5,4,7,6/E:(1,2)(3,4)(5,6)(8,9)/rA:10nCCCNCSNCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H16N2S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:8.23226
Area:356.678
Solvation:-0.684686
Coulombic:-25.8373
Bond Count [?]
All:9
Single:8
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:160.281
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.69
LogP (Chemaxon):1.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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