AG00FBZN

66592-89-0 | CarbaMiMidothioic acid, 3-cyanopropyl ester, hydrochloride (1

AG00FBZN

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CAS Number	66592-89-0
Catalog Number	AG00FBZN(AGN-PC-0TLANK)
Chemical Name	CarbaMiMidothioic acid, 3-cyanopropyl ester, hydrochloride (1
IUPAC Name	3-cyanopropyl carbamimidothioate;hydrochloride
InChI	InChI=1S/C5H9N3S.ClH/c6-3-1-2-4-9-5(7)8;/h1-2,4H2,(H3,7,8);1H
InChI Key	NCXJZJFDQMKRKM-UHFFFAOYSA-N
MDL Number	MFCD22572767
Molecular Formula	C5H10ClN3S
Molecular Weight	179.6710
SMILES	NC(SCCCC#N)=N.[H]Cl
UNII	NL6L2371DP
Synonyms	Kevetrin hydrochloride, 66592-89-0, KEVETRIN, Kevetrin (hydrochloride), UNII-NL6L2371DP, Kevetrin Hcl, 4-Isothioureidobutyronitrile hydrochloride, NL6L2371DP, 500863-50-3, NSC 525990, kevetrin-hydrochloride, Thioureidobutyronitrile HCl, SCHEMBL851612, EX-A627, Carbamimidothioic acid, 3-cyanopropyl ester, monohydrochloride, BCP16345, MFCD22572767, thioureido butyronitrile hydrochloride, AKOS027439952, CS-4976, AK499423, HY-16271, FT-0700349, A13797, 4-(carbamimidoylsulfanyl)butanenitrile hydrochloride, J-690340, (2E,6E)-2,6-Bis(4-pyridinylmethylene)-cyclohexanone, Carbamimidothioic acid,3-cyanopropyl ester,hydrochloride, CarbaMiMidothioic acid, 3-cyanopropyl ester, hydrochloride (1, kevetrin.HCl, thioureidobutyronitrile, D0K7DV, 4-Isothioureidobutyronitrile, UNII-C3059TG1KN, 2-(3-cyanopropyl)isothiourea, NSC-525990, 66592-89-0 (HCl), Carbamimidothioic acid, 3-cyanopropyl ester, LBT4/angiogenesis inhibitor (cancer), Cellceutrix, CarbaMiMidothioic acid, 3-cyanopropyl ester, hydrochloride (1:1),

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.028g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	179.666g/mol
Monoisotopic Mass	179.028g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	99A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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