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CycLuc1

CAT: 0607-BA6179-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6179-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1247879-16-8
Form
A solid
Molecular Formula
C13H11N3O2S2
Molecular Weight
305.38
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

(S)-2-(6,7-Dihydro-5H-thiazolo[4,5-f]indol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid
CAS Number1247879-16-8
PubChem CID91885395
IUPAC Name(4S)-2-(6,7-dihydro-5H-pyrrolo[3,2-f][1,3]benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Molecular FormulaC13H11N3O2S2
Molecular Weight305.4
XLogP2.6
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity459
SMILES
C1CNC2=CC3=C(C=C21)N=C(S3)C4=N[C@H](CS4)C(=O)O
InChI
InChI=1S/C13H11N3O2S2/c17-13(18)9-5-19-11(16-9)12-15-8-3-6-1-2-14-7(6)4-10(8)20-12/h3-4,9,14H,1-2,5H2,(H,17,18)/t9-/m1/s1
InChIKey
HBZBAMXERPYTFS-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(6,7-Dihydro-5H-thiazolo[4,5-f]indol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid
CAS: 1247879-16-8
CID: 91885395
Formula: C13H11N3O2S2
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass305.02926895
Monoisotopic Mass305.02926895
Topological Polar Surface Area128 Ų
Heavy Atom Count20
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A12957-50CycLuc1 50mg
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