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102203-10-1 | Carbamimidothioic acid, 4-[(aminoiminomethyl)amino]butyl ester
CAS No: 102203-10-1 Catalog No: AG0006WX MDL No:
Product Description
Catalog Number:
AG0006WX
Chemical Name:
Carbamimidothioic acid, 4-[(aminoiminomethyl)amino]butyl ester
CAS Number:
102203-10-1
Molecular Formula:
C6H15N5S
Molecular Weight:
189.2818
IUPAC Name:
4-(hydrazinylmethylideneamino)butyl carbamimidothioate
InChI:
InChI=1S/C6H15N5S/c7-6(8)12-4-2-1-3-10-5-11-9/h5H,1-4,9H2,(H3,7,8)(H,10,11)
InChI Key:
DZRABGJZNZZQJH-UHFFFAOYSA-N
SMILES:
NN=CNCCCCSC(=N)N
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
189.281g/mol
Monoisotopic Mass:
189.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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