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100130-32-3 | Carbamimidothioic acid, 2-[(aminoiminomethyl)amino]ethyl ester, dihydrobromide (9CI)
CAS No: 100130-32-3 Catalog No: AG00011E MDL No:
Product Description
Catalog Number:
AG00011E
Chemical Name:
Carbamimidothioic acid, 2-[(aminoiminomethyl)amino]ethyl ester, dihydrobromide (9CI)
CAS Number:
100130-32-3
Molecular Formula:
C4H13Br2N5S
Molecular Weight:
323.0525
IUPAC Name:
2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide
InChI:
InChI=1S/C4H11N5S.2BrH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H3,7,8)(H4,5,6,9);2*1H
InChI Key:
GPWJSTKHQMIXCA-UHFFFAOYSA-N
SMILES:
NN=CNCCSC(=N)N.Br.Br
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
323.051g/mol
Monoisotopic Mass:
320.926g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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