AG005DU9

77152-97-7 | Tert-butyl N-(3-amino-3-thioxopropyl)carbamate

AG005DU9

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CAS Number	77152-97-7
Catalog Number	AG005DU9(AGN-PC-0KK790)
Chemical Name	Tert-butyl N-(3-amino-3-thioxopropyl)carbamate
IUPAC Name	tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate
InChI	InChI=1S/C8H16N2O2S/c1-8(2,3)12-7(11)10-5-4-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,11)
InChI Key	OBDMXQCRRWGEQM-UHFFFAOYSA-N
MDL Number	MFCD02180883
Molecular Formula	C8H16N2O2S
Molecular Weight	204.2898
NSC Number	655427
SMILES	O=C(OC(C)(C)C)NCCC(N)=S
Synonyms	77152-97-7, Tert-Butyl N-(3-Amino-3-Thioxopropyl)Carbamate, tert-Butyl 3-amino-3-thioxopropylcarbamate, tert-butyl N-(2-carbamothioylethyl)carbamate, NSC655427, Carbamic acid,N-(3-amino-3-thioxopropyl)-, 1,1-dimethylethyl ester, tert-Butyl (3-amino-3-thioxopropyl)carbamate, tert-butyl N-(3-amino-3-sulfanylidenepropyl)carbamate, AC1MC3SY, AC1Q1NEV, SCHEMBL1788759, CHEMBL1996366, CTK5E3928, DTXSID90370860, OBDMXQCRRWGEQM-UHFFFAOYSA-N, ZINC5500943, 2029AC, MFCD02180883, SBB054123, AKOS009157879, AB11453, NE60556, NSC-655427, AS-10126, NCI60_019221, 3-(tert-Butoxycarbonylamino)propanethioamide, DB-056178, TC-071755, FT-0641637, t-Butyl N-(3-amino-3-thioxopropyl)carbamate, tert.butyl N(3-amino-3-thioxopropyl)carbamate, 3-[(tert-Butoxycarbonyl)amino]propanethioamide, Tert-butylN-(3-amino-3-thioxopropyl)carbamate, tert. butyl N(3-amino-3-thioxopropyl)carbamate, tert-butyl N-(3-amino-3-thioxo-propyl)carbamate, tert-Butyl (3-amino-3-thioxoprop-1-yl)carbamate, N-(3-amino-3-thioxopropyl)(tert-butoxy)carboxamide, tert-Butyl (3-amino-3-sulfanylidenepropyl)carbamate, (2-thiocarbamoyl-ethyl)-carbamic acid tert-butyl ester, 1,1-dimethylethyl (3-amino-3-thioxopropyl)carbamate, I14-13206, tert-Butyl 3-amino-3-thioxopropylcarbamate, AldrichCPR, (2-THIOCARBAMOYLETHYL)CARBAMIC ACID TERT-BUTYL ESTER, C8H16N2O2S, ACN-039625, CID2735653,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.093g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.288g/mol
Monoisotopic Mass	204.093g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	96.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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