AG001ZD0

173998-77-1 | Carbamic acid, N-[imino(methylthio)methyl]-, 1,1-dimethylethyl ester

AG001ZD0

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CAS Number	173998-77-1
Catalog Number	AG001ZD0(AGN-PC-0O4X6G)
Chemical Name	Carbamic acid, N-[imino(methylthio)methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[amino(methylsulfanyl)methylidene]carbamate
InChI	InChI=1S/C7H14N2O2S/c1-7(2,3)11-6(10)9-5(8)12-4/h1-4H3,(H2,8,9,10)
InChI Key	QNNVPHNPWRBCKH-UHFFFAOYSA-N
MDL Number	MFCD11519419
Molecular Formula	C7H14N2O2S
Molecular Weight	190.2633
SMILES	O(C(C)(C)C)C(=O)NC(=N)SC
Synonyms	1-n-boc-2-methyl-isothiourea, N-Boc-S-methylisothiourea, 173998-77-1, tert-butyl N-[(methylsulfanyl)methanimidoyl]carbamate, N-Boc-2-Methyl-isothiourea, methyl N-Boc-carbamimidothioate, mono-N-Boc-S-methylisothiourea, KS-00000LUW, QNNVPHNPWRBCKH-UHFFFAOYSA-N, ZINC39091111, AK432078, N-tertbutoxycarbonyl-S-methylpseudothiourea, tert-butyl methylthiocarbonoimidoylcarbamate, tert-butyl[imino(methylthio)methyl]carbamate, N-(tert-butyloxycarbonyl)-S-methylisothiourea, tert-butyl amino(methylthio)methylenecarbamate, Z2582143673, Carbamic acid, [imino(methylthio)methyl]-, 1,1-dimethylethyl ester, Carbamic acid, N-[imino(methylthio)methyl]-, 1,1-dimethylethyl ester,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.078g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.261g/mol
Monoisotopic Mass	190.078g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	90A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

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