tert-butyl N-carbamothioylcarbamate

tert-butyl N-carbamothioylcarbamate

CAS: 268551-65-1

Formula: C6H12N2O2S

SMILES: CC(C)(C)OC(=O)NC(N)=S

IUPAC: tert-butyl N-carbamothioylcarbamate

InChI: InChI=1S/C6H12N2O2S/c1-6(2,3)10-5(9)8-4(7)11/h1-3H3,(H3,7,8,9,11)

Composition: C (40.89%), H (6.86%), N (15.90%), O (18.16%), S (18.19%)

Molar Mass: 176.23

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	176.061948808
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	JKXQTODLIZBUDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.13
Topological Polar Surface Area	64.35
Polarizability	18.27
Ring Count	0
Rotatable Bond Count	2

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