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(Z)-3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}-N'-sulfamoylpropanimidamide

(Z)-3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}-N'-sulfamoylpropanimidamide

CAS: 76824-35-6

Formula: C8H15N7O2S3

SMILES: NC(=N)NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1

IUPAC: (Z)-3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}-N'-sulfamoylpropanimidamide

InChI: InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)

Composition: C (28.48%), H (4.48%), N (29.06%), O (9.48%), S (28.50%)

Molar Mass: 337.44

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 337.044936273
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 5
InChIKey XUFQPHANEAPEMJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.52
Topological Polar Surface Area 173.33
Polarizability 30.77
Ring Count 1
Rotatable Bond Count 6

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98% <5 Days 76824-35-6 $564.00$564.00
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