Chemical ID: 5512532

Cn1c(nnn1)SCC#C
Chemical ID:
5512532
Name [?]:
1-methyl-5-prop-2-ynylsulfanyl-tetrazole
SMILES [?]:
Cn1c(nnn1)SCC#C
InChi [?]:
InChI=1/C5H6N4S/c1-3-4-10-5-6-7-8-9(5)2/h1H,4H2,2H3
InChi Info:
AuxInfo=1/0/N:10,1,9,8,3,4,5,6,2,7/rA:10nCNCNNNSCCC/rB:s1;s2;d3;s4;s2d5;s3;s7;s8;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N4S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.75066
Area:320.439
Solvation:-1.26032
Coulombic:-8.27376
Bond Count [?]
All:10
Single:7
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:154.194
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:-0.23
LogP (Chemaxon):0.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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