tert-butyl N-(4-isothiocyanatobutyl)carbamate

tert-butyl N-(4-isothiocyanatobutyl)carbamate

CAS: 247035-47-8

Formula: C10H18N2O2S

SMILES: CC(C)(C)OC(=O)NCCCCN=C=S

IUPAC: tert-butyl N-(4-isothiocyanatobutyl)carbamate

InChI: InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-7-5-4-6-11-8-15/h4-7H2,1-3H3,(H,12,13)

Composition: C (52.15%), H (7.88%), N (12.16%), O (13.89%), S (13.92%)

Molar Mass: 230.33

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	230.108899002
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KWATYFKNNFFFSH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.66
Topological Polar Surface Area	50.69
Polarizability	24.93
Ring Count	0
Rotatable Bond Count	7

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