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34840-23-8 | 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
CAS No: 34840-23-8 Catalog No: AG0032LB MDL No:MFCD00590781
Product Description
Catalog Number:
AG0032LB
Chemical Name:
1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea
CAS Number:
34840-23-8
Molecular Formula:
C6H10N2O4S
Molecular Weight:
206.2196
MDL Number:
MFCD00590781
IUPAC Name:
methyl N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamate
InChI:
InChI=1S/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10)
InChI Key:
KHBXLYPOXVQKJG-UHFFFAOYSA-N
SMILES:
COC(=O)N/C(=N\C(=O)OC)/SC
EC Number:
252-240-2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.216g/mol
Monoisotopic Mass:
206.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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