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129118-53-2 | Hydrazinecarbothioamide, 2-(2,3-dihydro-1,5-benzothiazepin-4-yl)-
CAS No: 129118-53-2 Catalog No: AG000YVC MDL No:
Product Description
Catalog Number:
AG000YVC
Chemical Name:
Hydrazinecarbothioamide, 2-(2,3-dihydro-1,5-benzothiazepin-4-yl)-
CAS Number:
129118-53-2
Molecular Formula:
C10H12N4S2
Molecular Weight:
252.3591
IUPAC Name:
(2,3-dihydro-1,5-benzothiazepin-4-ylamino)thiourea
InChI:
InChI=1S/C10H12N4S2/c11-10(15)14-13-9-5-6-16-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,12,13)(H3,11,14,15)
InChI Key:
RNPVVYDXZOMFAM-UHFFFAOYSA-N
SMILES:
NC(=S)NNC1=Nc2ccccc2SCC1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.354g/mol
Monoisotopic Mass:
252.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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