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Chemical ID: 6291280

Chemical ID:

6291280

Name [?]:

1-phenyl-3-[2-(2-thienyl)vinyl]urea

SMILES [?]:

c1ccc(cc1)NC(=O)NC=Cc2cccs2

InChi [?]:

InChI=1/C13H12N2OS/c16-13(15-11-5-2-1-3-6-11)14-9-8-12-7-4-10-17-12/h1-10H,(H2,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,2,6,15,3,5,14,12,11,16,4,13,8,10,7,9,17/E:(2,3)(5,6)/rA:17nCCCCCCNCONCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;w11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₂N₂OS
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.90608
Area:	431.094
Solvation:	-1.87127
Coulombic:	-36.4504

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	5
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	244.313
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.09
LogP (Chemaxon):	2.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value