tert-butyl N-[(Z)-[(tert-butoxycarbonyl)amino](methylsulfanyl)methylidene]carbamate

tert-butyl N-[(Z)-[(tert-butoxycarbonyl)amino](methylsulfanyl)methylidene]carbamate

CAS: 107819-90-9

Formula: C12H22N2O4S

SMILES: CSC(NC(=O)OC(C)(C)C)=N/C(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(Z)-{[(tert-butoxy)carbonyl]amino}(methylsulfanyl)methylidene]carbamate

InChI: InChI=1S/C12H22N2O4S/c1-11(2,3)17-9(15)13-8(19-7)14-10(16)18-12(4,5)6/h1-7H3,(H,13,14,15,16)

Composition: C (49.64%), H (7.64%), N (9.65%), O (22.04%), S (11.04%)

Molar Mass: 290.38

Atom Count: 41

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	290.13002837
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UQJXXWHAJKRDKY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.23
Topological Polar Surface Area	76.99
Polarizability	29.38
Ring Count	0
Rotatable Bond Count	5

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