AG00BBZX

2055-46-1 | 3,4,5,6-TETRAHYDRO-2-PYRIMIDINETHIOL

AG00BBZX

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CAS Number	2055-46-1
Catalog Number	AG00BBZX(AGN-PC-0WB2H7)
Chemical Name	3,4,5,6-TETRAHYDRO-2-PYRIMIDINETHIOL
EC Number	218-152-3
IUPAC Name	1,3-diazinane-2-thione
InChI	InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChI Key	NVHNGVXBCWYLFA-UHFFFAOYSA-N
MDL Number	MFCD00060526
Molecular Formula	C4H8N2S
Molecular Weight	116.1847
NSC Number	21316
SMILES	S=C1NCCCN1
Synonyms	propylenethiourea, 2055-46-1, Propylenethiourea, 3,4,5,6-Tetrahydro-2-pyrimidinethiol, 1,3-diazinane-2-thione, Hexahydropyrimidine-2-thione, Cyclic propylene thiourea, tetrahydropyrimidine-2(1H)-thione, 1,3-Propylenethiourea, 2-(1H)-Tetrahydropyrimidinethione, N,N'-Trimethylenethiourea, 2-Mercaptotetrahydropyrimidine, Tetrahydropyrimidine-2-thione, 2(1H)-PYRIMIDINETHIONE, TETRAHYDRO-, 1,4,5,6-tetrahydropyrimidine-2-thiol, Tetrahydro-2(1H)-pyrimidinethione, 1,4,5,6-Tetrahydro-2-pyrimidinethiol, 2-Mercapto-3,4,5,6-tetrahydropyrimidine, Thiourea, N,N'-1,3-propanediyl-, NSC 21316, 3,4,5,6-Tetrahydropyrimidine-2-thiol, 2-Mercapto-1,4,5,6-tetrahydropyrimidine, EINECS 218-152-3, AI3-61107, NVHNGVXBCWYLFA-UHFFFAOYSA-N, 1,4,5,6-Tetrahydro-pyrimidine-2-thiol, 1,3-diazaperhydroine-2-thione, AC1MC3LL, WLN: T6MYMTJ BUS, Perhydropyrimidine-2-thione, SCHEMBL90036, tetrahydro-2-pyrimidinethione, CHEMBL11938, Thiourea,N'-1,3-propanediyl-, DTXSID3062156, CTK8H5300, KS-00002A3V, NSC21316, ZINC6661066, 2(1H)-Pyrimidinethione,tetrahydro-, 1,5,6-Tetrahydro-2-pyrimidinethiol, 3,5,6-Tetrahydro-2-pyrimidinethiol, 6954AD, BBL007751, BBL027546, MFCD00060526, NSC-21316, SBB017542, STK386301, STK802300, AKOS000120992, AKOS000267507, 2-Mercapto-1,5,6-tetrahydropyrimidine, 2-Mercapto-3,5,6-tetrahydropyrimidine, MCULE-6601711997, PS-4155, VP50349, 1,4,5,6-tetrahydropyrimidin-2-thione, 1,4,5,6-tetrahydro-2- pyrimidinethiol, 3,4,5,6-Teterahydro-2-pyrimidinethiol, 3,4,5,6-tetrahydro-2-pyrimidine-thiol, LS-135644, FT-0676434, ST45027668, 3,4,5,6-tetrahydro(1H)pyrimidine-2-thione, 3,4,5,6-Tetrahydro-2(1H)-pyrimidinethione, C-4704, 3,4,5,6-Tetrahydro-2-pyrimidinethiol, >=99%, A814694, 3,4,5,6-TETRAHYDRO-1H-PYRIMIDINE-2-THIONE, I03-1538, J-013419, F0001-0729, 93B, C4H8N2S, C4-H8-N2-S, CID2723785,

Complexity	73.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.041g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	116.182g/mol
Monoisotopic Mass	116.041g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number