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BIR1

CAT: 0931-T30459-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30459-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76383-13-6
Target
Others
Related Pathways
Others
Bioactivity
BIR1 is a balloon inducing reagent, which triggers a spontaneous self-organization process, leading to the formation of 3-D balloon like structure during hESC differentiation.
Smiles
CC(C)CSC1=NC2=CC=C(C=C2S1)\N=C\C1=C(O)C=CC=C1
Molecular Formula
C18H18N2OS2
Molecular Weight
342.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(2-Isobutylsulfanyl-benzothiazol-6-ylimino)-methyl]-phenol
CAS Number76383-13-6
PubChem CID331969
IUPAC Name2-[[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]iminomethyl]phenol
Molecular FormulaC18H18N2OS2
Molecular Weight342.5
XLogP5.5
Topological Polar Surface Area99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity404
SMILES
CC(C)CSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC=CC=C3O
InChI
InChI=1S/C18H18N2OS2/c1-12(2)11-22-18-20-15-8-7-14(9-17(15)23-18)19-10-13-5-3-4-6-16(13)21/h3-10,12,21H,11H2,1-2H3
InChIKey
JZPGURKWXUBQLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2-Isobutylsulfanyl-benzothiazol-6-ylimino)-methyl]-phenol
CAS: 76383-13-6
CID: 331969
Formula: C18H18N2OS2
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass342.08605555
Monoisotopic Mass342.08605555
Topological Polar Surface Area99 Ų
Heavy Atom Count23
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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